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Ionic Liquids: From Knowledge to Application: Poster Session (Poster session #28036:
Contains 52 papers: 52 accepted.)
Organizer: Joan F. Brennecke, Department of Chemical and Biomolecular Engineering,
University of Notre Dame, 180 Fitzpatrick Hall, Notre Dame, IN 46556,
jfb@nd.edu; Kenneth R. Seddon, QUILL Research Centre, Queen's University
Belfast, David Keir Building, Stranmillis Road, Belfast BT9 5AG United Kingdom,
k.seddon@qub.ac.uk
Organizer, Robin D. Rogers, Department of Chemistry and Center for Green Manufacturing /
Presiding: School of Chemistry and Chemical Engineering, The University of
Alabama,Tuscaloosa / The Queen's University of Belfast, Stranmillis Road,
Belfast, Northern Ireland BT9 5AG United Kingdom, rdrogers@bama.ua.edu
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1 (1199119) Caffeine ionic liquids – dream or reality?. G. Gurau, K. Rogers, R. D. Rogers
2 (1198969) Liquid Ion Pairs and Dimeric Anions: Variations on Pharmaceutical Ionic liquids. D. R.
MacFarlane, J. L. Scott, K. Fraser, M. Forsyth, E. I. Izgorodina, K. Johansson
3 (1193449) Pyridine and nicotine as solvents for ionic liquids with related cationic structure. Z. P.
Visak, A. Rodriguez, A. B. Pereiro, J. N. A. Canongia Lopes, L. P. N. Rebelo
4 (1203457) Comparative toxicity of branched and straight chain alkyl functionality in ionic liquids. C.
McEntee, J. Gwon, X. Li, J. F. Wishart, S. I. Lall-Ramnarine
5 (1200750) Degradability by design: 1-hydroxyimidazole-derived salts as stable, yet degradable
ionic liquids. G. Laus, A. Schwaerzler, M. Hummel, K. Wurst, V. Kahlenberg, G. Bonn, H.
Schottenberger
6 (1202813) Designed to decompose. Task-specific ionic liquids incorporating N-acylium and
N-sulfonylium cations. K. Gaines, J. H. Davis Jr., R. A. O'Brien, K. M. Mattson
7 (1202643) Task-specific ionic liquids (TSILs) based on heterocyclic cations with directly
ring-attached aldehyde and benzoyl groups. Hydrate and Acetal Formation. K. M. Mattson, J. H.
Davis Jr., R. A. O'Brien, K. Gaines
8 (1202215) New Bronsted acidic TSILs. From computation-guided design to synthesis and
properties. J. H. Davis Jr., R. A. O'Brien, K. M. Mattson, K. Gaines, B. B. Plash, A. Wierzbicki, E.
A. Salter
9 (1204467) New amine functionalized ionic liquids for multi-mode acid gas capture. J. H. Davis Jr.,
R. A. O'Brien, K. Gaines, K. M. Mattson
10 (1202625) Study of ionic liquid solvation and aggregation by NMR spectroscopy and molecular
dynamics simulations. R. C. Remsing, Z. Liu, B. B. O'Brien, G. Moyna
11 (1191710) Specific interactions between salts and ionic liquids in aqueous salt solutions. L. I. N.
Tomé, F. R. Varanda, M. G. Freire, I. M. Marrucho, J. A. P. Coutinho
12 (1200280) Solvation of a small peptide molecule in room-temperature ionic liquids. Y. Shim, H. J.
Kim
13 (1198486) Synthesis and properties of ionic liquids derived from N-methyl-D-glucamine. G.
Chalumot, J. L. Anderson
14 (1196619) Decomposition of the ionic liquid 1-ethyl-3-methylimidazolim ethylsulfate under ambient
conditions. L. E. Ficke, J. F. Brennecke
15 (1197837) Novel luminescent and magnetic ionic crystals. A. V. Mudring
16 (1204338) Template-Free Recyclable Growth of Magnetite Nanocrystals in Neat Ionic Liquid. J. D.
Woodward, A. J. Rondinone, G. A. Baker
17 (1190871) Molar refraction in a series of imidazolium- and phosphonium-based ionic liquids. M.
Tariq, J. N. A. Canongia Lopes, L. P. Rebelo
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18 (1190939) Phase equilibria in ionic liquid plus aromatic compound binary systems. M. Blesic, J. N.
A. Canongia Lopes, L. P. Rebelo
19 (1190885) Self-aggregation and fluorescence quenching of surfactant ionic liquids. M. Blesic, A.
Lopes, E. Melo, Z. Petrovski, N. Plechkova, J. N. A. Canongia Lopes, K. R. Seddon, L. P. Rebelo
20 (1203510) Tetraalkylphosphonium polyoxometalates as novel ionic liquids. M. L. Dietz, P. G.
Rickert, M. R. Antonio, M. A. Firestone, J. F. Wishart, T. Szreder, K -A. Kubatko
21 (1202259) Improved chemical analysis of lignocellulosic biomass through dissolution into ionic
liquids. L. M. Kline, R. Jena Kumar, D. G. Hayes, N. Labbe
22 (1202506) Utilizing elongational flow in the spinning of carbon fiber precursors from
1-butyl-3-methylimidazolium chloride cellulose solutions. R. Sammons, J. Collier, T. Rials, S.
Petrovan
23 (1200708) Shear reology of 1-butyl-3-methylimidazolium chloride cellulose solutions including
solution character and preparation. J. R. Collier, J. Watson, B. Collier, S. Petrovan
24 (1202150) Molecular dynamics simulations of cellobiose in the ionic liquid
1-n-butyl-3-methylimidazolium chloride. Z. Liu, R. C. Remsing, P. B. Moore, G. Moyna
25 (1204504) Development of the Polymer Actuator Based on the Polymer Electrolyte Composed of
Ionic Liquids and ABA-type Triblock Copolymers. S. Imaizumi, Y. Kato, H. Kokubo, M. Watanabe
26 (1198640) Development of ionic liquid/polyimide copolymers for CO2/H2 membranes. P. Li, Q.
Zhao, J. L. Anderson, M. R. Coleman
27 (1190660) Thermodynamics properties for imidazolium ionic liquids + methyl methacrylate. W.
Fan, Q. Zhou, R. Yan, S. Zhang
28 (1198627) Imidazolium-based zwitterionic compounds bearing a fluorinated alkyl group and a
sulfonate group for proton exchange membrane. H. Kim, J. S. Lee, M. Cheong, H. S. Kim
29 (1204239) Generation and detection of radicals in ionic liquids . J. A. C. Clyburne, K. Ghandi, C.
Walsby
30 (1195709) Hydrogen halide-equivalent ionic liquids: Application in the ring opening of epoxides. J.
Salazar, J. M. Rodriguez, S. E. Lopez
31 (1196845) Kinetic Study of S-Alkylation of 2-Mercaptobenzimidazole by Allyl Bromide in the
Presence of Potassium Hydroxide. M -L. Wang, Y -C. Liu
32 (1203382) Electrochemical studies of the fries rearrangement in ionic liquids. G. T. Cheek
33 (1176766) Kinetic studies of rapid alkylation reaction in liquid-liquid biphasic reaction using acidic
ionic liquid catalyst. J. Joni, P. Wasserscheid
34 (1194201) Liquid-liquid electrochemisty of a new class of chiral hydrophobic room temperature
ionic liquids . J. B. Rollins, J. C. Conboy
35 (1196139) Atomistic modeling of densities and solubility parameters of ionic liquids. B. Derecskei,
A. Derecskei-Kovacs
36 (1200244) Atomistic simulation of the thermodynamic properties of organic hydrazine-derivatives
and hydrazinium-based energetic salts and ionic liquids. K. E. Gutowski, B. Gurkan, S.
Jayaraman, E. J. Maginn
37 (1200686) Considering partial ionic dissociation with electrolytic excess Gibbs energy models in an
asymmetric framework. L. D. Simoni, A. A. Augugliaro, J. F. Brennecke, M. A. Stadtherr
38 (1190924) The potential energy landscape of bis(fluorosulfonyl)amide. K. Shimizu, Y. Umebayashi,
K. Fujii, A. A. H. Pádua, J. N. A. Canongia Lopes
39 (1202769) Vibrational spectrum of [emin][TF2N] ion pair : A density functional study. . N. R.
Dhumal, H. J. Kim
40 (1199632) Solubility of gases in [hmim][Tf2N] and [hmim][eFAP]. Z. K. Lopez-castillo, D. E.
Kestel, J. F. Brennecke
41 (1198625) Gas sorption properties of ionic liquids. Q. Zhao, P. Li, M. R. Coleman, J. L. Anderson
42 (1193016) High-pressure Solubilities of Carbon Dioxide in [Cnmim][Tf2N] Ionic Liquids. P. J.
Carvalho, J. J. B. Machado, J. Pauly, J -L. Daridon, I. M. Marrucho, J. A. P. Coutinho
43 (1195818) Readily prepared and cost effective ionic liquids: Few steps more toward the industrial
application of CO2 separation using ionic liquids. H. S. Kim, J. Palgunadi, J. E. Kang
44 (1197196) Light gas separation with gelled room-temperature ionic liquid supported membranes.
B. A. Voss, J. E. Bara, D. L. Gin, R. D. Noble
45 (1199932) Pure gas solubilities and viscosities of task-specific ionic liquids. D. E. Kestel, D. F.
Rahill, J. C. de la Fuente, J. F. Brennecke
46 (1193273) Separation of liquids with triethylsulphonium bis(trifluoromethylsulfonyl)-imide ionic
liquid. A. Marciniak, U. Domańska-Żelazna
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47 (1177162) ILTHERMO: Archival storage and retrieval of thermophysical properties. J. W. Magee,
Q. Dong, C. D. Muzny, A. Kazakov, V. Diky, J. A. Widegren, R. D. Chirico, K. N. Marsh, M. Frenkel
48 (1190857) Solubility of fluorinated compounds in ionic liquids. R. Ferreira, M. Blesic, J. Trindade, I.
M. Marrucho, J. N. A. Canongia Lopes, L. P. Rebelo
49 (1204248) Influence of the Anionic Species of a Molten Salt on Lipid Organization. K. O. Evans
50 (1202456) Interfacial Mass Transport in Biphasic Ionic Liquid/Organic solvent Systems.. A.
Ahosseini, L. Weatherley, A. M. Scurto
51 (1190444) LCST Behavior of Linear Polymers and Polymer Gels in Ionic Liquids and Its Possibility
in Material Science. M. Watanabe, T. Ueki, K. Kodama, A. Yamaguchi
52 (1197600) Transport properties of ionic liquids. S. S. Moganty, R. E. Baltus, P. Goonetillake, D.
Roy
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1176766: Kinetic studies of rapid alkylation reaction in liquid-liquid biphasic reaction using acidic ionic liquid catalyst
Ionic Liquids: From Knowledge to Application
IEC 0 [1176766]: Kinetic studies of rapid alkylation reaction in liquid-liquid biphasic reaction using
acidic ionic liquid catalyst
Joni Joni, joni.joni@crt.cbi.uni-erlangen.de, Lehrstuhl für Chemische Reaktionstechnik, Friedrich-Alexander University of Erlangen-Nuremberg,
Egerlandstrasse 3, 91052 Erlangen, Germany, Fax: +49-9131-8527421, joni.joni@crt.cbi.uni-erlangen.de, and Peter Wasserscheid,
Wasserscheid@crt.cbi.uni-erlangen.de, Lehrstuhl für Chemische Reaktionstechnik, Universität Erlangen-Nürnberg, Erlangen D-91058, Germany
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Oral
Consider for Sci-Mix: Y
Special Equipment Needs: LCD projector, laser pointer
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Kinetic studies of cumene and meta-xylene isopropylation using the acidic ionic liquid 1-ethyl-3-methylimidazolium chloride ([EMIM]Cl)/AlCl3 as catalyst
showed the importance of the different products solubility in the acidic ionic liquid phase. However, since the acidic ionic liquid phase is very reactive it
would be very difficult if not impossible to perform cross-solubility measurements under reaction condition. Our work try to overcome this limitation by
introducing correction factors to the product concentrations in the organic phase based on COSMO-RS model, an implemented quantum chemistry and
DFT calculation, of the relative product solubility in the acidic ionic liquid [EMIM][Al2Cl7]. This gave us a remarkably good prediction of the reaction
kinetics. Moreover, our finding proves indirectly the suitability of COSMO-RS to understand kinetic aspects of industrial relevant ionic-liquid-organic
biphasic reaction
1177162: ILTHERMO: Archival storage and retrieval of thermophysical properties
Ionic Liquids: From Knowledge to Application
IEC 0 [1177162]: ILTHERMO: Archival storage and retrieval of thermophysical properties
Joseph W. Magee, joe.magee@nist.gov1, Qian Dong, qian.dong@nist.gov2, Chris D. Muzny, chris.muzny@nist.gov3, Andrei Kazakov,
andrei.kazakov@nist.gov3, Vladimir Diky, vladimir.diky@nist.gov1, Jason A. Widegren, jason.widegren@nist.gov1, Robert D. Chirico,
robert.chirico@nist.gov3, Kenneth N Marsh, ken.marsh@canterbury.ac.nz4, and Michael Frenkel, michael.frenkel@nist.gov3. (1) Physical & Chemical
Properties Division, National Institute of Standards & Technology, 325 Broadway, Boulder, CO 80305-3328, joe.magee@nist.gov, (2) National Institute
of Standards & Technology, Gaithersburg, MD 20899-8380, (3) Physical and Chemical Properties Division, National Institute of Standards and
Technology, Boulder, CO 80305-3328, (4) Department of Chemical and Process Engineering, University of Canterbury, Christchurch, New Zealand
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: PosterOnly
Consider for Sci-Mix: N
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
The development, scope, and functionality of the web-based ionic liquids database, ILTHERMO, are described. This archival database is available free
to the public at the URL http://ilthermo.boulder.nist.gov/, and aims to provide users worldwide with up-to-date information from publications of
experimental thermophysical properties for ionic liquids, including numerical property values, measurement methods, sample purities, purification
methods, uncertainties and related bibliographic information. The database can be searched in terms of the ions constituting the ionic liquids, the ionic
liquids themselves, and their properties, and through literature citation information. ILTHERMO presents information via a high-density data screen,
which enables users to easily retrieve comprehensive ionic liquids data on one data page by navigating through a series of tables. ILTHERMO is an
integral component of a distributed information system envisioned by an IUPAC Task Group (2003-020-2-100 Ionic Liquids Database). Since its release
in July 2006, downloads from ILTHERMO have escalated to a rate that now exceeds 80,000 files per month. An international effort is now underway to
fully populate the database with data from classic papers and also newly minted data as their journal articles are published. To date, this effort has been
somewhat hendered, by the wide distribution of articles, which report some relevant thermophysical data, among numerous journals with different
specializations. Authors are encouraged to send PDFs of their papers to robert.chirico@nist.gov to have their thermophysical property data added to
ILTHERMO and thus accelerate its usage by the ionic liquids community.
1190444: LCST Behavior of Linear Polymers and Polymer Gels in Ionic Liquids and Its Possibility in Material Science
Ionic Liquids: From Knowledge to Application
1 of 20 3/30/2008 9:43 PM
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IEC 0 [1190444]: LCST Behavior of Linear Polymers and Polymer Gels in Ionic Liquids and Its
Possibility in Material Science
Masayoshi Watanabe, mwatanab@ynu.ac.jp, Takeshi Ueki, d04sa101@ynu.ac.jp, Koichi Kodama, , and Ayuko Yamaguchi, , Department of
Chemistry and Biotechnology, Yokohama National University, 79-5 Tokiwadai, Hodogaya-ku, Yokohama 240-8501, Japan, Fax: +81-45-339-3955
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: Y
Inviting Chair: Joan F. Brennecke, jfb@nd.edu
Preferred Presentation Format: OralOnly
Consider for Sci-Mix: N
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
In this presentation, we report the experimental observations of the unique phase behavior of linear polymers and cross-linked polymer gels in ionic
liquids (ILs) as solvents. Poly(benzyl methacrylate) (PBnMA) and its copolymers exhibit lower critical solution temperature (LCST)-type phase
separation in common hydrophobic ILs such as 1-ethyl-3-methylimidazolium bis(trifluoromethane sulfone)imide ([C2mim][NTf2]). The turbidity
measurements for PBnMA/IL mixed systems reveal that the LCST-type phase separation temperatures change significantly with the changes in the
chemical structures of polymers and ILs. Moreover, cross-linked PBnMA gels show reversible and discontinuous swelling change in [C2mim][NTf2] with
the changes in temperature. As ILs are, in general, thermally and chemically stable and have negligible vapor pressure, these swelling changes could
be utilized to develop stimuli-responsive smart materials, such as actuators, optical devices, and switching devices. As an example, the
photo-responsive shape change of photochromic polymer gels will be presented.
1190660: Thermodynamics properties for imidazolium ionic liquids + methyl methacrylate
Ionic Liquids: From Knowledge to Application
IEC 0 [1190660]: Thermodynamics properties for imidazolium ionic liquids + methyl methacrylate
Wei Fan, wfan@home.ipe.ac.cn1, Qing Zhou, qzhou@home.ipe.ac.cn2, Ruiyi Yan, 2, and Suojiang Zhang, sjzhang@home.ipe.ac.cn 3. (1) College
of Chemical Engineering, Kaifeng University, Daliang Road, Kaifeng 475004, China, Fax: 86-10-82627080, wfan@home.ipe.ac.cn, (2) Institute of
Process Engineering, Chinese Academy of Sciences, Beijing 100190, China, (3) Prof. Institute of Process Engineering, Chinese Academy of Sciences,
Bei Er Tiao No.1, Zhong Guan Cun, Beijing, Beijing 100190, China, Fax: 86-10-82627080, sjzhang@home.ipe.ac.cn
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: PosterOnly
Consider for Sci-Mix: N
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Thermodynamics properties such as density and viscosity for binary systems of imidazolium ionic liquids + methyl methacrylate (MMA) were measured
over the entire concentration range in the temperature range from (383.15 to 353.15) K. From these experimental data, the excess molar volumes VE
and viscosity deviations δη were calculated. The VE and δη
were fitted to the Redlich-Kister equations using a multiparametric nonlinear regression method. Estimated coefficients of the Redlich-Kister equation
and standard deviation calculated are also presented. The results show that the densities and viscosities are dependent strongly on MMA content and
weakly temperature.
1190857: Solubility of fluorinated compounds in ionic liquids
Ionic Liquids: From Knowledge to Application
IEC 0 [1190857]: Solubility of fluorinated compounds in ionic liquids
Rui Ferreira, r.ferreira@itqb.unl.pt1, Marjana Blesic, m.blesic@itqb.unl.pt1, Joana Trindade, j.trindade@itqb.unl.pt1, I. M. Marrucho,
imarrucho@dq.ua.pt2, José Nuno A. Canongia Lopes, jnlopes@ist.utl.pt3, and Luis PN. Rebelo, luis.rebelo@itqb.unl.pt 1. (1) Instituto de
Tecnologia Quimica e Biologica, Universidade Nova de Lisboa, Portugal, Av Republica, Apartado 127, 2781-901 Oeiras, Portugal, Fax:
351-21-4411277, r.ferreira@itqb.unl.pt, luis.rebelo@itqb.unl.pt, (2) CICECO, Department of Chemistry, University of Aveiro, Aveiro 3810-193, Portugal,
(3) Centro de Química Estrutural, Instituto Superior Técnico, Av. Rovisco Pais, 1049 001 Lisboa, Portugal, jnlopes@ist.utl.pt
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Poster
Consider for Sci-Mix:
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Systems that incorporate both ionic liquids and fluorinated compounds are an inherently appealing media from an environmental point of view. In this
work we explore the mutual solubility of a large range of commonly used ionic liquids with partially fluorinated alcohols (C7 to C12 in carbon chain
length) or perfluoroheptane. The corresponding T-x diagrams at atmospheric pressure were built using cloud-point determinations and the results were
2 of 20 3/30/2008 9:43 PM
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analysed taking into account the shifts in the immiscibility envelope as a function of i) alkyl side-chain length of the cation; ii) nature of the polar groups
in the anion or cation; iii) length of the fluorinated compound and iv) comparison with systems involving normal (and shorter) alcohols. The results show
different trends that can be interpreted on a molecular basis and open up the possibility of using fluorinated compounds to promote miscibility between
water and bistriflamide-based ionic liquids.
1190871: Molar refraction in a series of imidazolium- and phosphonium-based ionic liquids
Ionic Liquids: From Knowledge to Application
IEC 0 [1190871]: Molar refraction in a series of imidazolium- and phosphonium-based ionic liquids
Mohammad Tariq, m.tariq@itqb.unl.pt1, José Nuno A. Canongia Lopes, jnlopes@ist.utl.pt2, and Luis PN. Rebelo, luis.rebelo@itqb.unl.pt 1. (1)
Instituto de Tecnologia Quimica e Biologica, Universidade Nova de Lisboa, Portugal, Av Republica, Apartado 127, 2781-901 Oeiras, Portugal, Fax:
351-21-4411277, m.tariq@itqb.unl.pt, luis.rebelo@itqb.unl.pt, (2) Centro de Química Estrutural, Instituto Superior Técnico, Av. Rovisco Pais, 1049 001
Lisboa, Portugal, jnlopes@ist.utl.pt
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Poster
Consider for Sci-Mix:
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
In this work we have measured the density and refraction index along two families of commonly used ionic liquids (based on the imidazolium and
phosphonium cations) at different temperatures. The two studied families of ionic liquids also shared in many cases the same type of anion. The
systematic and self-consistent nature of the experiments (all data were gathered usimg the same experimental procedures / techniques / compounds)
allowed us to calculate and discuss the molar refraction of the studied systems as a function the nature of the anion, alkyl side-chain of the cation, and
temperature. The molar free volume (that can be estimated from the molar refraction) along a given series of systems correlates quite well with
available gas solubility data for those same systems.
1190885: Self-aggregation and fluorescence quenching of surfactant ionic liquids
Ionic Liquids: From Knowledge to Application
IEC 0 [1190885]: Self-aggregation and fluorescence quenching of surfactant ionic liquids
Marjana Blesic, m.blesic@itqb.unl.pt1, António Lopes, a.lopes@itqb.unl.pt1, Eurico Melo, eurico@itqb.unl.pt1, Zeljko Petrovski, zeljko@ist.utl.pt2,
Natalia Plechkova, n.plechkova@qub.ac.uk3, José Nuno A. Canongia Lopes, jnlopes@ist.utl.pt4, Kenneth R. Seddon, k.seddon@qub.ac.uk3, and Luis
PN. Rebelo, luis.rebelo@itqb.unl.pt 1. (1) Instituto de Tecnologia Quimica e Biologica, Universidade Nova de Lisboa, Portugal, Av Republica,
Apartado 127, 2781-901 Oeiras, Portugal, Fax: 351-21-4411277, m.blesic@itqb.unl.pt, luis.rebelo@itqb.unl.pt, (2) Centro de Quimica Fisica Molecular,
Instituto Superior Técnico, 1049 001 Lisboa, Portugal, (3) QUILL Research Centre, Queen's University Belfast, Belfast BT9 5AG, United Kingdom, (4)
Centro de Química Estrutural, Instituto Superior Técnico, 1049 001 Lisboa, Portugal
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Poster
Consider for Sci-Mix:
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
The aggregation behaviour in aqueous solution of a number of ionic liquids was investigated at ambient conditions using three techniques:
fluorescence, interfacial tension and 1H NMR spectroscopy. For the first time, the fluorescence quenching effect has been used for the determination of
critical micelle concentrations (CMCs). Both the influence of the alkyl side chain length and the type of ring in the cation (head) on the CMC were
investigated. A comparison of the self-aggregation behaviour of ionic liquids based on 1-alkyl-3-methylimidazolium and 1-alkyl-3-methylpyridinium
cations is provided. It was observed that 3-methylpyridinium ionic liquids could be used as quenchers for some fluorescence probes (fluorophores). As a
consequence, a simple and convenient method to probe early evidence of aggregate formation was established.
1190924: The potential energy landscape of bis(fluorosulfonyl)amide
Ionic Liquids: From Knowledge to Application
IEC 0 [1190924]: The potential energy landscape of bis(fluorosulfonyl)amide
Karina Shimizu, karina.shimizu@ist.utl.pt1, Yasuhiro Umebayashi, yumescc@mbox.nc.kyushu-u.ac.jp2, Kenta Fujii, e5636@cc.saga-u.ac.jp3, Agílio A.
H. Pádua, agilio.padua@univ-bpclermont.fr4, and José Nuno A. Canongia Lopes, jnlopes@ist.utl.pt1. (1) Centro de Química Estrutural, Instituto
Superior Técnico, Av. Rovisco Pais, 1049 001 Lisboa, Portugal, karina.shimizu@ist.utl.pt, jnlopes@ist.utl.pt, (2) Department of Chemistry, Kyushu
University, Fukuoka, Japan, Fukuoka 812-8581, Japan, (3) Department of Chemistry and Applied Chemistry, Faculty of Science and Engineering, Saga
University, Japan, Saga 840-8502, Japan, (4) Laboratoire Thermodynamique et Interactions Moléculaires, Université Blaise Pascal - CNRS, 24, avenue
des Landais, 63177 Aubière, France, Fax: +33473407185, agilio.padua@univ-bpclermont.fr
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
3 of 20 3/30/2008 9:43 PM
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Consider for Sci-Mix:
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Last Modified: 2008-03-30
Abstract
The most prominent property of ionic liquids, viz. their low melting temperature as compared with common inorganic salts, is usually caused by the size,
charge delocalization or asymmetry of the ions that compose them. The fact that those ions are generally non-rigid and can adopt different
conformations is another key-feature that can partially explain the unusually low melting point of ionic liquids. One of the most conspicuous
characteristics of bistriflamide-like anions is their ability to adopt different conformations by rotation of the two groups attached to the central nitrogen
atom. This “flexibility” - as opposed to the “rigidity” of other more traditional anions - can explain the unique solvation properties and enhanced stability
(and huge success) of bistriflamide-based ionic liquids. In this work we discuss the conformational landscape of the novel bis(fluorosulfonyl)amide
anion, studied by ab initio, MD and Raman spectroscopy techniques.
1190939: Phase equilibria in ionic liquid plus aromatic compound binary systems
Ionic Liquids: From Knowledge to Application
IEC 0 [1190939]: Phase equilibria in ionic liquid plus aromatic compound binary systems
Marjana Blesic, m.blesic@itqb.unl.pt1, José Nuno A. Canongia Lopes, jnlopes@ist.utl.pt2, and Luis PN. Rebelo, luis.rebelo@itqb.unl.pt 1. (1)
Instituto de Tecnologia Quimica e Biologica, Universidade Nova de Lisboa, Portugal, Av Republica, Apartado 127, 2781-901 Oeiras, Portugal, Fax:
351-21-4411277, m.blesic@itqb.unl.pt, luis.rebelo@itqb.unl.pt, (2) Centro de Química Estrutural, Instituto Superior Técnico, Av. Rovisco Pais, 1049 001
Lisboa, Portugal, jnlopes@ist.utl.pt
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Poster
Consider for Sci-Mix:
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Benzene exhibits a peculiar type of fluid-phase behavior with bistriflamide-based ionic liquids: the corresponding phase diagrams show an area of
immiscibility totally skewed towards benzene-rich compositions and complete miscibility up to 80% mole fraction of benzene in the ionic liquid. This fact
suggested the existence in the liquid phase of clathrate-like structures and recent soild-liquid equilibrium studies unveiled the existence of an equimolar
inclusion compound in the [emim][NTf2] + benzene binary mixture, with a congruent melting temperature above the melting temperatures of both
benzene and the ionic liquid. In this work we have extended those studies by determining the solid-liquid and liquid-liquid phase diagrams of that same
ionic liquid with totally or partially fluorinated benzene molecules.
1191710: Specific interactions between salts and ionic liquids in aqueous salt solutions
Ionic Liquids: From Knowledge to Application
IEC 0 [1191710]: Specific interactions between salts and ionic liquids in aqueous salt solutions
Luciana I. N. Tomé, l_tome@portugalmail.pt1, F. R. Varanda, fvaranda@ua.pt1, Mara G. Freire, maragfreire@ua.pt2, I. M. Marrucho,
imarrucho@dq.ua.pt1, and J. A. P. Coutinho, jcoutinho@dq.ua.pt 1. (1) CICECO, Department of Chemistry, University of Aveiro, Campus
Universitario de Santiago, Aveiro 3810-193, Portugal, Fax: 234-370084, l_tome@portugalmail.pt, jcoutinho@dq.ua.pt, (2) Instituto de Tecnologia
Química e Biológica, ITQB2, Universidade Nova de Lisboa, Oeiras 2780-901, Portugal
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: PosterOnly
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Despite the importance of a detailed understanding of the phase behaviour of IL systems – crucial, for instance, for the optimization of the extraction
and purification of metabolites in bioprocesses – data on the mutual solubilities between aqueous media containing inorganic salts and ILs are quite
scarce, and the interpretation of the phenomena occurring in those systems is far from being well established. In this work, the effects of several
sodium-based inorganic salts on the mutual solubilities between water and the [C4mim][C(CN)3] hydrophobic IL were investigated. The liquid-liquid
phase equilibria of the ternary systems were experimentally obtained via turbidimetry and the dependence of the upper critical solution temperature with
the nature and concentration of the anion was evaluated. Spectroscopic studies on these ternary systems have been carried providing further insight on
the solvation of ionic liquids in aqueous saline solutions and on the molecular-level mechanisms by which both IL and inorganic salt ions operate.
1193016: High-pressure Solubilities of Carbon Dioxide in [Cnmim][Tf2N] Ionic Liquids
Ionic Liquids: From Knowledge to Application
IEC 0 [1193016]: High-pressure Solubilities of Carbon Dioxide in [Cnmim][Tf2N] Ionic Liquids
P. J. Carvalho, quijorge@ua.pt1, José J. B. Machado, jmachado@dq.ua.pt1, Jérôme Pauly, jerome.pauly@univ-pau.fr2, Jean-Luc Daridon, 2, I. M.
Marrucho, imarrucho@dq.ua.pt1, and J. A. P. Coutinho, jcoutinho@dq.ua.pt 1. (1) CICECO, Department of Chemistry, University of Aveiro, Campus
4 of 20 3/30/2008 9:43 PM
Abstract Listing http://oasys.acs.org/acs/236nm/iec/sessions/print.cgi?username=28036&...
Universitario de Santiago, Aveiro 3810-193, Portugal, Fax: 234-370084, quijorge@ua.pt, jcoutinho@dq.ua.pt, (2) Laboratoire des Fluides Complexes,
Université de Pau et des Pays de L'Adour, Pau 64013, France
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: PosterOnly
Consider for Sci-Mix:
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Ionic liquids (ILs) are a novel class of organic salts commonly composed of relative large organic cations and organic or inorganic anions that cannot
form an ordered crystal and thus remain liquid at or near room temperature. Unlike molecular liquids, the ionic nature of these compounds results in an
unique combination of intrinsic physical properties such as high stability, large liquid temperature range, nonvolatility, high ionic conductivity,
nonflammability and good solvation properties for both polar and nonpolar compounds. These outstanding characteristics, along with their easy
manipulation, due to the possibility of interchangeability of thousands of cations and anions, gave ILs a status of “green” and “designer” solvents which
hold promise a widespread applications, bridging industry and academia alike. The solubility of gases provide useful information on the fundamental
knowledge for physical and chemical interactions between these compounds on the molecular level. Thus, to evaluate the applicability or even establish
proposals of a specific IL for a target application the knowledge of phase behavior (solubility) is of most importance. In this work, solubility data of
carbon dioxide (CO2) in the ionic liquids 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([Cnmim][Tf2N], n=2, 3, 4, 5, 6, 7, 8, 10) are
investigated at pressures up to 45 MPa and at temperatures between 288 K and 343 K. The ability of the Cubic-plus-Association equation of state (CPA
EoS) for modeling the gas solubilities in ionic liquids, in the temperature and pressure range studied, is also evaluated. This equation of state combines
the Soave-Redlich-Kwong (SRK) EoS for describing the physical interactions with the association contribution proposed by Wertheim, which explicitly
accounts for hydrogen bonding (by several mixing rules and association schemes) and thus a better improvement towards other EoS can be
accomplished.
1193273: Separation of liquids with triethylsulphonium bis(trifluoromethylsulfonyl)-imide ionic liquid
Ionic Liquids: From Knowledge to Application
IEC 0 [1193273]: Separation of liquids with triethylsulphonium bis(trifluoromethylsulfonyl)-imide ionic
liquid
Andrzej Marciniak, a.marciniak@ch.pw.edu.pl
and Urszula Domańska-Żelazna, , Physical Chemistry Division, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664
Warsaw, Poland, a.marciniak@ch.pw.edu.pl
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: PosterOnly
Consider for Sci-Mix: N
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
The activity coefficients at infinite dilution, γ13∞
for different solutes: alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene and water in the ionic liquid triethylsulphonium
bis(trifluoromethylsulfonyl)-imide [Et3S][NTf2] were determined by gas-liquid chromatography at the temperatures from 298.15 K to 368.15 K. The partial
molar excess enthalpies at infinite dilution values H1E,∞ were calculated from the experimental γ13∞ values obtained over the temperature range. The
selectivities for the hexane/benzene, cyclohexane/benzene and other separation problems were calculated from the γ13∞ and compared to the literature
values for other ionic liquids, NMP and sulfolane. This investigation is a continuation of our previous work on the measurement of γ13∞ using different
ionic liquids. The results are compared to γ13∞ for different ionic liquids found in the literature in an attempt to understand the influence of the cation and
anion on solute-solvent interactions.
1193449: Pyridine and nicotine as solvents for ionic liquids with related cationic structure
Ionic Liquids: From Knowledge to Application
IEC 0 [1193449]: Pyridine and nicotine as solvents for ionic liquids with related cationic structure
Zoran P Visak, visak@itqb.unl.pt1, Ana Rodriguez, aroguez@uvigo.es2, Ana Belem Pereiro, anab@uvigo.es2, José Nuno A. Canongia Lopes,
jnlopes@ist.utl.pt3, and Luis Paulo N. Rebelo, luis.rebelo@itqb.unl.pt 4. (1) Technology Department/Molecular Thermodynamics, Instituto de
Tecnologia Quimica e Biologica, Universidade Nova de Lisboa, Portugal, Av Republica, Apartado 127, 2781-901 Oeiras, Portugal, Fax:
+351-21-441-12-77, visak@itqb.unl.pt, (2) Department of Chemical Engineering, University of Vigo, 36310 Vigo, Spain, (3) Centro de Química
Estrutural, Instituto Superior Técnico, Av. Rovisco Pais, 1049 001 Lisboa, Portugal, jnlopes@ist.utl.pt, (4) Molecular Thermodynamics Group, Instituto
de Tecnologia Química e Biológica (ITQB-UNL), Avenida da República (EAN), Oeiras 2781-901, Portugal, Fax: +351-21-4421161,
luis.rebelo@itqb.unl.pt
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: PosterOnly
5 of 20 3/30/2008 9:43 PM
Abstract Listing http://oasys.acs.org/acs/236nm/iec/sessions/print.cgi?username=28036&...
Consider for Sci-Mix: N
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Solutions of ionic liquids and aromatic molecules exhibit unusual phase behaviour. Recently we have reported on the phase diagrams of nicotine
solutions in ionic liquids and ionic liquid mixtures. In the current work we present solid-liquid and liquid-liquid phase demixing in solutions of pyridine or
nicotine with the ionic liquids, 1-alkyl-3-methylpyridinium chlorides, [Cnmpyr]Cl (n = 4,6,10,16), structurally related to these aromatic molecules. The
solubility of [Cnmpyr]Cl increases as the cationic alkyl chain decreases from n = 16 to n = 6 (in the case of pyridine) and from n =16 to n = 10 (in the
case of nicotine) - however, in both cases this trend is turned round if the chain continues to shorten. For all the studied solutions pyridine is a better
solvent compared to nicotine. In the case of nicotine the large aliphatic N-methyl pyrrolidine residue diminishes its solvent abilities towards the studied
ionic liquids.
1194201: Liquid-liquid electrochemisty of a new class of chiral hydrophobic room temperature ionic liquids
Ionic Liquids: From Knowledge to Application
IEC 0 [1194201]: Liquid-liquid electrochemisty of a new class of chiral hydrophobic room temperature
ionic liquids
Julie B. Rollins, rollins@chem.utah.edu
and John C. Conboy, conboy@chem.utah.edu, Department of Chemistry, University of Utah, 315 S. 1400 E. RM 2020, Salt Lake City, UT 84112, Fax:
801-587-9919, rollins@chem.utah.edu
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: OralOnly
Consider for Sci-Mix: N
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Room temperature ionic liquids (RTILs) have received much attention in the area of separations. More specifically, hydrophobic RTILs have shown the
potential to replace volatile organic solvents in liquid-liquid separations. Chiral RTILs have been used in other separation techniques, such as gas
chromatography, to separate enantiomers. Therefore, a chiral hydrophobic RTIL may show chiral selectivity in liquid-liquid extractions. A series of novel
chiral hydrophobic room temperature ionic liquids (RTILs) based on an alpha-methylbenzylamine cation and bis(perfluoroalkylsulfonyl)imide anion have
been synthesized and their physical properties: density, viscosity, conductivity, water content, and electrochemical stability have been investigated.
These chiral RTILs are sufficiently hydrophobic to produce a polarizable window at the interface between two immiscible electrolyte solutions (ITIES).
This is the first time that a chiral ITIES has been reported. This new class of chiral hydrophobic RTILs have the potential to enable enantiomeric
selectivity across the ITIES. These studies open up new avenues to study transfer thermodynamics of chiral molecules across an organic/aqueous
interface that have not been accessible in the past.
1195709: Hydrogen halide-equivalent ionic liquids: Application in the ring opening of epoxides
Ionic Liquids: From Knowledge to Application
IEC 0 [1195709]: Hydrogen halide-equivalent ionic liquids: Application in the ring opening of epoxides
Jose Salazar, jsalazar@usb.ve, Jose Manuel Rodriguez, , and Simon E. Lopez, slopez@usb.ve, Departamento de Quimica, Universidad Simon
Bolivar, Sartenejas Baruta, Caracas, Venezuela, Fax: 58 212 9063961, jsalazar@usb.ve
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Comments to Organizer: I will register as a member at the meeting
Preferred Presentation Format: PosterOnly
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
A highly regioselective and efficient method for the synthesis of halohydrins (Cl,Br and I) by direct ring opening of epoxides ( 1,2
epoxy-3-aryloxy-propanes and aryloxiranes) using an equivalente mixture of N-butylpyridinium halides (Cl,Br and I) and trifluoroacetic acid is described.
This mixture acts as a solvent /reagent ionic liquid. The reactions are very fast , convenient, with rather high yields (90-95%) and are carried out at
ambient temperatures with no side products other than N-butylpyridinium trifluoroacetate, which can be recovered after completion and reusable as a
new potential ionic liquid. Other additional applications for these novel ionic liquid reagents are also described.
1195818: Readily prepared and cost effective ionic liquids: Few steps more toward the industrial application of CO2
separation using ionic liquids
Ionic Liquids: From Knowledge to Application
IEC 0 [1195818]: Readily prepared and cost effective ionic liquids: Few steps more toward the industrial
application of CO2 separation using ionic liquids
Hoon Sik Kim, khs2004@khu.ac.kr, Jelliarko Palgunadi, jelliarko@googlemail.com, and Je Eun Kang, -tomodazzi-@hanmail.net, Department of
Chemistry, Kyung Hee University, 1-Hoegi-dong, Dongdaemun-gu, 130-701, Seoul, South Korea, Fax: 082-02-9663701, khs2004@khu.ac.kr,
6 of 20 3/30/2008 9:43 PM
Abstract Listing http://oasys.acs.org/acs/236nm/iec/sessions/print.cgi?username=28036&...
jelliarko@googlemail.com
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: PosterOnly
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Ionic liquids (ILs) which are salts at room temperature have open future applications in many fields. The finding of remarkable solubility of CO2 in ILs
has led many research groups to study this type of salts as potential absorbents in the CO2 separation process. Melting point and viscosity are two
major factors playing crucial role in the gas absorption employing ILs. Unfortunately, among huge number of possible ILs can be synthesized, only
limited numbers of ILs are liquid below room temperature. Until recently, room temperature ILs from imidazolium-based ILs containing such as, PF6-,
BF4-, Tf2N-, and other fluorinated anions have received much attention and have been studied comprehensively since they have very low melting
points and show high CO2 absorption ability. For commercial applications, however, those salts seem to be not attractive due to multi steps preparation,
high cost and negative impact to the environment. Hence, we explored some readily prepared, simple, and cost effective room temperature ILs which
may be potential for the CO2 separation industrially. The existing interactions between ILs and CO2 are tried to explain qualitatively employing quantum
chemical calculation.
1196139: Atomistic modeling of densities and solubility parameters of ionic liquids
Ionic Liquids: From Knowledge to Application
IEC 0 [1196139]: Atomistic modeling of densities and solubility parameters of ionic liquids
Bela Derecskei, bela.derecskei@millenniumchem.com
and Agnes Derecskei-Kovacs, agnes.derecskei-kovacs@millenniumchem.com, Research Center Baltimore, Millennium Chemicals Inc, 6752 Bay
Meadow Dr, Glen Burnie, MD 21060, bela.derecskei@millenniumchem.com
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Poster
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Due to the enormous variety of ionic liquids potentially available, the design of task-specific ionic liquids is gaining importance. Traditional solvents are
often evaluated based on their solubility parameters to assess their compatibility with solutes. The analogous parameter values for ionic liquids are also
useful, though their available is often limited. Consequently, solvent design and pre-screening of candidates by molecular modeling is an attractive
alternative. In this work, the density and two component solubility parameter of a variety of ionic liquids were investigated using atomistic level molecular
modeling. The ionic liquids chosen consisted of ethyl, butyl, and hexyl imidazolium cations in conjunction with the Cl-, [(CN)2N] -, [CF3CO2]- and [Tf2N]-
anions. It was found that the density could be calculated with satisfactory accuracy with the exception of systems containing the Cl anion and that both
ions in the ionic liquid had a strong impact on the solubility parameter.
1196619: Decomposition of the ionic liquid 1-ethyl-3-methylimidazolim ethylsulfate under ambient conditions
Ionic Liquids: From Knowledge to Application
IEC 0 [1196619]: Decomposition of the ionic liquid 1-ethyl-3-methylimidazolim ethylsulfate under
ambient conditions
Lindsay E. Ficke, lficke@nd.edu
and Joan F. Brennecke, jfb@nd.edu, Department of Chemical and Biomolecular Engineering, University of Notre Dame, 182 Fitzpatrick Hall, Notre
Dame, IN 46556, lficke@nd.edu
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Poster
Consider for Sci-Mix: N
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
The ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate ([emim][EtSO4]) was found to decompose over time by reacting with water to form
1-ethyl-3-methylimidazolium hydrogen sulfate ([emim][HSO4]) and ethanol under ambient conditions. This was discovered when checking the batch to
batch consistency for heat of mixing measurements. Three batches were compared: two commercial samples purchased from Solvent Innovations in
2004 and 2007, and a batch made in-house in 2006. The decomposition products were confirmed by mass spectrometry. Quantitatively, nuclear
magnetic spectroscopy (NMR) revealed that the 2004 and 2006 batches were 22 % and 26 % decomposed, respectively. The decomposition of the
2007 batch was under the detection limit of the instrument (< 1 % decomposed). Due to the composition and property changes with time, [emim][EtSO4]
will not be a good candidate for many potential applications.
7 of 20 3/30/2008 9:43 PM
Abstract Listing http://oasys.acs.org/acs/236nm/iec/sessions/print.cgi?username=28036&...
1196845: Kinetic Study of S-Alkylation of 2-Mercaptobenzimidazole by Allyl Bromide in the Presence of Potassium
Hydroxide
Ionic Liquids: From Knowledge to Application
IEC 0 [1196845]: Kinetic Study of S-Alkylation of 2-Mercaptobenzimidazole by Allyl Bromide in the
Presence of Potassium Hydroxide
Maw-Ling Wang, chmmlw@sunrise.hk.edu.tw, Department of Environmental Engineering, Hungkuang University, No. 34, Chung-Che Road, Shalu,
Taichung County 43302, Taiwan, Fax: +886-4-2652-9226, chmmlw@sunrise.hk.edu.tw, and Yen-Chun Liu, blliu@mail.wfc.edu.tw, Department of
Chemical Engineering, Wu-Feng Institute of Technology, Ming-Hsiung, Chiayi County 62513, Taiwan
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Poster
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
The S-alkylation (substitution on sulfur atom) of 2-mercaptobenzimidazole (MBI) by ally bromide (RBr) was successfully carried out in an aqueous
solution of KOH/organic solvent two-phase medium. The reaction, which may take place either in the organic phase or on the interface, is greatly
enhanced in the presence of KOH without the aid of quaternary salts as the catalyst to promote the reaction. No product was obtained from N-alkylation
(substitution on nitrogen atom) during or after the reaction period by using a limited amount of ally bromide (RBr) relative to that of MBI. Based on the
experimental evidence, the kinetic behaviors and the characteristics of the reaction are sufficiently described by the pseudo-first order rate law. The
effects of the reaction conditions, including the agitation speed, the amount of KOH, volume of water, volume of dichloromethane, amount of allyl
bromide, amount of 2-mercaptobenzimidazole, organic solvents and temperature on the conversion of allyl bromide and the apparent rate constants
(kapp) were investigated in detailed. Peculiar result is obtained in studying the effect of the volume of water on the conversion (or the reaction rate) in
this work. Rational explanations are provided for the observed phenomena from experimental results.
1197196: Light gas separation with gelled room-temperature ionic liquid supported membranes
Ionic Liquids: From Knowledge to Application
IEC 0 [1197196]: Light gas separation with gelled room-temperature ionic liquid supported membranes
Bret A Voss, bret.voss@colorado.edu, Department of Biological and Chemical Engineering, University of Colorado, Boulder, 424 UCB, Boulder, CO
80309-0424, bret.voss@colorado.edu, Jason E. Bara, jason.bara@colorado.edu, Department of Chemical & Biological Engineering, University of
Colorado, Boulder, CO 80309-0424, Douglas L. Gin, gin@spot.colorado.edu, Department of Chemical & Biological Engineering, and Department of
Chemistry & Biochemistry, University of Colorado, Boulder, CO 80309, and Richard D. Noble, nobler@colorado.edu, Department of Chemical and
Biological Engineering, University of Colorado at Boulder, Boulder, CO 80309-0424
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: Y
Inviting Chair: Dr. Mark B. Shiflett, mark.b.shiflett@usa.dupont.com
Preferred Presentation Format:
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Supported ionic liquid membranes (SILMs) have shown a higher permeability and selectivity for CO2 than current polymer membranes, but they have
poor mechanical stability, and the ionic liquid (IL) will leach out if high pressures are applied. Low molecular-weight organic gelators (LMOGs) can form
mechanically stable, non-covalent networks that gel many organic solvents. In this study, LMOG-gelled 1-hexyl-3-methylimidazolium
bis(trifluoromethylsulfonyl)imide (hmim/Tf2N) was examined as new type of SILM with better mechanical properties. The CO2 permeability of the
LMOG-gelled hmim/Tf2N membrane was determined to be similar to the neat RTIL. However, the gel can retain its shape when cut, and is mechanically
robust enough to support objects placed on top of it. It is believed that the gas solubility and transport properties of the gel and the neat hmim/Tf2N are
similar because the gel is 98.5% IL. Initial results show that LMOGs could gel any IL to increase mechanical stability without reducing gas transport
properties.
1197600: Transport properties of ionic liquids
Ionic Liquids: From Knowledge to Application
IEC 0 [1197600]: Transport properties of ionic liquids
Surya Sekhar Moganty, mogantys@clarkson.edu1, Ruth E. Baltus, baltus@clarkson.edu1, Pubudu Goonetillake, 2, and Dipankar Roy, 2. (1)
Department of Chemical and Biomolecular Engineering, Clarkson University, Potsdam, NY 13699, mogantys@clarkson.edu, (2) Department of Physics,
Clarkson University, Potsdam, NY 13699
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: OralOnly
Consider for Sci-Mix: N
8 of 20 3/30/2008 9:43 PM
Abstract Listing http://oasys.acs.org/acs/236nm/iec/sessions/print.cgi?username=28036&...
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
In this presentation, results from fundamental studies of the transport characteristics of carbon dioxide and propylene gases in room temperature ionic
liquids (RTILs) are reported. Carbon dioxide was selected because it is a commonly studied gas by many ionic liquid researchers. Propylene was
selected because it has a similar molecular weight as CO2 but very different chemistry and structure. Carbon dioxide and propylene gas solubilities and
diffusivities were measured using a pressure transient technique [1] in different ionic liquids at different temperatures. The relative roles played by the
cation and anion on the solubilities of these gases will be discussed. The entropies and enthalpies of absorption will also be reported and discussed.
Diffusion coefficient results are used to develop a general correlation relating gas diffusivity to ionic liquid properties and solute properties. Finally, cyclic
voltammetry and impedance spectroscopy were used to measure the diffusion coefficients of ferrocene, ethylferrocene, and 1-1'-dimethylferrocene in a
variety of ionic liquids at different concentrations and temperatures. The role of ferrocene side groups and the properties of ionic liquids on diffusivities
will be discussed.
References:
1. Ying Hou and Ruth Baltus, Ind .Eng. Chem. Res, 46, 8166, 2007.
1197837: Novel luminescent and magnetic ionic crystals
Ionic Liquids: From Knowledge to Application
IEC 0 [1197837]: Novel luminescent and magnetic ionic crystals
Anja V Mudring, anja.mudring@rub.de, Anorganische Chemie I - Festkoerperchemie und Materialien, Ruhr University Bochum, NCDF 04/398,
Bochum 44780, Germany, anja.mudring@rub.de
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Oral
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Metal-containing ionic liquids are auspicious new materials that can favourably combine the properties of ionic liquids with additional magnetic,
photophysical/optical or catalytic properties that origin from the metal. The metal gets incorporated in the IL in the form of a complex anion. We report
on an unprecedented series of low melting lanthanide containing ionic liquids with excellent photophysical properties (lifetime, color purity). Using
lanthanides with high effective magnetic moments yields such as Dy yields ionic liquids that can be easily manipulated by external magnetic fields and
are superior to the known transition metal ionic liquids. Through modification of the cation ionic liquids that combine liquid crystalline properties with
luminenscence and magnetism can be obtained offering the possibility of magnetic phase switching. Compounds luminescing in the three basic colors
blue, red and green that could be of use in lightening devices will be presented.
1198486: Synthesis and properties of ionic liquids derived from N-methyl-D-glucamine
Ionic Liquids: From Knowledge to Application
IEC 0 [1198486]: Synthesis and properties of ionic liquids derived from N-methyl-D-glucamine
Guillaume Chalumot, guillaume.chalumot@laposte.net
and Jared L Anderson, Jared.Anderson@UToledo.edu, Department of Chemistry, The University of Toledo, 2801 W. Bancroft Street; MS 602, Toledo,
OH 43606, guillaume.chalumot@laposte.net
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: PosterOnly
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
A new class of ionic liquids and room temperature ionic liquids based on N-methyl-D-glucamine have been synthesized and characterized. This class of
compounds is unique due to the complexing ability of the parent amine towards borate ion and boric acid. The conversion the molecule's secondary
amine to a quaternary amine by nucleophilic substitution using various alkyl halides leads to products that exhibit unique physico-chemical properties.
1198625: Gas sorption properties of ionic liquids
Ionic Liquids: From Knowledge to Application
IEC 0 [1198625]: Gas sorption properties of ionic liquids
Qichao Zhao, zqichao@UTNet.UToledo.edu 1, Pei Li, pli8@UTNet.UToledo.edu2, Maria R. Coleman, macolema@eng.utoledo.edu2, and Jared L
Anderson, Jared.Anderson@UToledo.edu1. (1) Department of Chemistry, The University of Toledo, 2801 W. Bancroft Street; MS 602, Toledo, OH
43606, zqichao@UTNet.UToledo.edu, (2) Department of Chemical and Environmental Engineering, University of Toledo, Toledo, OH 43606
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
9 of 20 3/30/2008 9:43 PM
Abstract Listing http://oasys.acs.org/acs/236nm/iec/sessions/print.cgi?username=28036&...
Invited: N
Preferred Presentation Format: PosterOnly
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Room temperature ionic liquids (RTILs) are salts that are liquid at room temperature and possess numerous advantages that make them widely
applicable in many fields of science. One of the unique properties inherent to RTILs is that certain classes of imidazolium-based ionic liquids have
remarkable solubility of CO2. The current need for carbon capturing technology and the need for high throughput, robust membranes for sequestering
H2 during coal gasification further underscore the need for a fundamental understanding of how the RTIL structure can be tailored for desired gas
sorption behavior. RTIL monomers were successfully synthesized and fully characterized by 1H-NMR and ESI-MS. Gas sorption properties of these
monomers will be presented. By combining the high CO2 solubility of the designed RTIL monomers within a polyimide or polydimethylsiloxane polymer
backbone, new classes of polymer membranes will be synthesized.
1198627: Imidazolium-based zwitterionic compounds bearing a fluorinated alkyl group and a sulfonate group for proton
exchange membrane
Ionic Liquids: From Knowledge to Application
IEC 0 [1198627]: Imidazolium-based zwitterionic compounds bearing a fluorinated alkyl group and a
sulfonate group for proton exchange membrane
Heehwan Kim, ak0331@hanmail.net1, Je Seung Lee, leejs70@khu.ac.kr2, Minserk Cheong, mcheong@khu.ac.kr2, and Hoon Sik Kim,
khs2004@khu.ac.kr2. (1) Department of Chemistry, KyungHee University, 1, Hoegi-Dong, Dongdaemoon-gu, Seoul, South Korea,
ak0331@hanmail.net, (2) Department of Chemistry, Kyung Hee University, Seoul 130-701, South Korea
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: PosterOnly
Consider for Sci-Mix: N
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Introduction of a fluorinated alkyl group on the imidazolium ring was found to significantly improve the thermal stability and the conductivity of the
zwitterionic compounds. Imidazolium-based zwitterionic compounds bearing a fluorinated alkyl group and a sulfonate group were synthesized and
tested for there conductivities for use as proton exchange membranes of fuel cell.
1198640: Development of ionic liquid/polyimide copolymers for CO2/H2 membranes
Ionic Liquids: From Knowledge to Application
IEC 0 [1198640]: Development of ionic liquid/polyimide copolymers for CO2/H2 membranes
Pei Li, pli8@UTNet.UToledo.edu1, Qichao Zhao, zqichao@UTNet.UToledo.edu2, Jared L Anderson, Jared.Anderson@UToledo.edu2, and Maria R.
Coleman, macolema@eng.utoledo.edu1. (1) Department of Chemical and Environmental Engineering, University of Toledo, 3064 Nitschke, Toledo, OH
43606, pli8@UTNet.UToledo.edu, (2) Department of Chemistry, The University of Toledo, Toledo, OH 43606
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Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: PosterOnly
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
While coal gasification is a promising method of hydrogen production because of abundant coal reserves and low price, an efficient method to purify the
hydrogen steam is an important step for industrial application. Polymeric membrane separation is an economical process for gas purification but
typically focus on diffusion based separations that are not appropriate for selectively permeating CO2 relative to H2 and CO. New membrane materials
have been designed using ionic liquid monomers within a polyimide backbone. The purpose of the ionic liquid monomers is to enhance the solubility of
CO2 to produce reverse selective membranes to recover sequestration ready carbon dioxide. Random copolymers consisting of an aromatic
dianhydride and diamine with amine functionalized ionic liquid monomers has been successfully synthesized and characterized. The pure gas transport
properties over a range of temperatures were measured along with gas sorption in the IL monomers for comparison. The glass transition temperature,
FTIR spectroscopy, molecular weight and mechanical properties of the polyimide copolymers will also be presented.
1198969: Liquid Ion Pairs and Dimeric Anions: Variations on Pharmaceutical Ionic liquids
Ionic Liquids: From Knowledge to Application
IEC 0 [1198969]: Liquid Ion Pairs and Dimeric Anions: Variations on Pharmaceutical Ionic liquids
Douglas R MacFarlane, d.macfarlane@sci.monash.edu.au1, Janet L. Scott, janet.scott@sci.monash.edu.au1, Kevin Fraser,
kevin.fraser@sci.monash.edu.au1, Maria Forsyth, 2, Ekaterina I. Izgorodina, Katya.Izgorodina@sci.monash.edu.au1, and katarina Johansson,
10 of 20 3/30/2008 9:43 PM
Abstract Listing http://oasys.acs.org/acs/236nm/iec/sessions/print.cgi?username=28036&...
katarina.johansson@sci.monash.edu.au1. (1) School of Chemistry, Monash University, Wellington Road, Clayton VIC 3800, Australia, Fax: 613 9905
4597, d.macfarlane@sci.monash.edu.au, (2) Department of Materials Engineering and ARC Centre for Electromaterials Science, Monash University,
Clayton VIC 3800, Australia
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Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: OralOnly
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Special Equipment Needs: standard
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Pharmaceutical Ionic Liquids are liquid salts of pharmaceutically active ions. In preparing a range of such materials we have found that (i) some
examples are better described as liquid ion pairs, than ionic liquids and (ii) protic salts formed from acid-base mixtures are, in some cases, more ionic
when the mole ratio of acid to base is 2:1 than at 1:1. These variations on the basic ionic liquid concept and their consequences are discussed.
1199119: Caffeine ionic liquids – dream or reality?
Ionic Liquids: From Knowledge to Application
IEC 0 [1199119]: Caffeine ionic liquids – dream or reality?
Gabriela Gurau, g.gurau@qub.ac.uk, QUILL, School of Chemistry and Chemical Engineering, The Queen's University of Belfast, Stranmillis Road,
Belfast, United Kingdom, g.gurau@qub.ac.uk, Kristin Rogers, , Department of Chemistry, Center for Green Manufacturing, and Alabama Institute of
Manufacturing Excellence, The University of Alabama, Tuscaloosa, AL 35487, and Robin D. Rogers, rdrogers@bama.ua.edu, Department of Chemistry
and Center for Green Manufacturing / School of Chemistry and Chemical Engineering, The University of Alabama,Tuscaloosa / The Queen's University
of Belfast, Belfast, Northern Ireland BT9 5AG, United Kingdom
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: PosterOnly
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Even after more than a century of investigation, caffeine still has the ability to surprise, especially when it comes to its biological properties. Despite the
huge amount of research focused on caffeine over the years, the number of salts reported in the literature is actually very small. Given the incredible
range of counterions available using an ionic liquid approach, we sought to develop new routes to caffeine-based salts based on pairing caffeinium with
ionic liquid-forming anions. In this presentation, the synthetic approaches, resulting properties, and potential applications of these salts will be
discussed.
1199632: Solubility of gases in [hmim][Tf2N] and [hmim][eFAP]
Ionic Liquids: From Knowledge to Application
IEC 0 [1199632]: Solubility of gases in [hmim][Tf2N] and [hmim][eFAP]
Zulema K. Lopez-castillo, Zulema.K.Lopez-Castillo.1@nd.edu, Devan E. Kestel, dkestel@nd.edu, and Joan F. Brennecke, jfb@nd.edu, Department
of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, IN 46556, Fax: 574-631-8366, Zulema.K.Lopez-Castillo.1@nd.edu
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Poster
Consider for Sci-Mix: N
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
The solubility of pure gases were measured in the ionic liquids 1-n-hexyl-3-methylimidazolium bis(trifluomethylsulfonyl)imide ([hmim][Tf2N]) and
1-hexyl-3-methylimidazolium tris(pentafluoroethyl)trifluoro phosphate ([hmim][eFAP]) using a magnetic suspension balance and an intelligent
gravimetric analyzer at temperatures from 25 up to 80 °C and pressures up to 100 bar. Gases investigated include CO2, N2, O2, H2, Ar, CH4 and SO2.
We are also investigating the solubility of gas mixtures in these two ionic liquids. Results indicate that physical absorption is predominant in all cases.
Additionally, the density of [hmim][Tf2N]/CO2 mixtures have been measured at temperatures up to 120 °C and pressures up to 20 bar. Results show
that the density of [hmim][Tf2N]/CO2 decreases with temperature and pressure. Water contents were in the range of 15 to 130 ppm.
1199932: Pure gas solubilities and viscosities of task-specific ionic liquids
Ionic Liquids: From Knowledge to Application
IEC 0 [1199932]: Pure gas solubilities and viscosities of task-specific ionic liquids
Devan E Kestel, dkestel@nd.edu, Daniel F Rahill, drahill@nd.edu, Juan C. de la Fuente, jdelafue@nd.edu, and Joan F. Brennecke, jfb@nd.edu,
Department of Chemical and Biomolecular Engineering, University of Notre Dame, 182 Fitzpatrick Hall, Notre Dame, IN 46556, dkestel@nd.edu
11 of 20 3/30/2008 9:43 PM
Abstract Listing http://oasys.acs.org/acs/236nm/iec/sessions/print.cgi?username=28036&...
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Poster
Consider for Sci-Mix: N
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Task-specific ionic liquids (TSILs) are ionic liquids containing an appended functional group which chemically complexes with a solute molecule of
interest. The TSILs in this study contain an appended amine group which chemically reacts with carbon dioxide. The chemical complexation of the TSIL
with carbon dioxide provides the potential for further carbon dioxide storage capacity than is possible in ionic liquids which only physically absorb carbon
dioxide. It has been visually observed previously that there is a sharp increase in viscosity of the TSIL upon chemical complexation with carbon dioxide.
Experimentally determined carbon dioxide solubility isotherms are reported for various TSILs at room temperature. In addition, experimentally
determined viscosities are reported for these TSILs.
1200244: Atomistic simulation of the thermodynamic properties of organic hydrazine-derivatives and
hydrazinium-based energetic salts and ionic liquids
Ionic Liquids: From Knowledge to Application
IEC 0 [1200244]: Atomistic simulation of the thermodynamic properties of organic hydrazine-derivatives
and hydrazinium-based energetic salts and ionic liquids
Keith E. Gutowski, kgutowski@nd.edu, Burcu Gurkan, beksiogl@nd.edu, Saivenkataraman Jayaraman, sjayaram@nd.edu, and Edward J. Maginn,
ed@nd.edu, Department of Chemical and Biomolecular Engineering, University of Notre Dame, 182 Fitzpatrick Hall, Notre Dame, IN 46556,
kgutowski@nd.edu
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Poster
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Low melting salts and ionic liquids (ILs) have been considered as alternatives to molecular energetic compounds and propellants, with other favorable
properties including high densities, negligible vapor pressures, and high thermal stabilities. Salts and ILs made from hydrazine and its derivatives are
particularly desirable as hydrazine-based chemistry has a long history within the aerospace field. Simulations are attractive alternatives to experiments
involving hydrazines due to intrinsic hazards. We have developed transferable classical forcefield (FF) parameters for the simulation of hydrazine
(N2H4) and organic derivatives, including monomethylhydrazine (MMH), unsymmetrical dimethylhydrazi e (UDMH), ethylhydrazine (MEH), and
n
2-hydroxyethylhydrazine (2-HEH). The FF was extended to study hydrazinium-based salts, inclu ding the [N2H5][NO3], [MMH][NO3], and [UDMH][NO3]
series. The FF was validated against experimental data, including liquid and crystal densities, heats of vaporization, vapor-liquid equilibria, heat
capacities, and melting points. Notably, predictions for the low-melting, energetic IL, 2-hydroxyethylhydrazinium nitrate [2-HEH][NO3], an alternative,
safer candidate to current propellants, were made.
1200280: Solvation of a small peptide molecule in room-temperature ionic liquids
Ionic Liquids: From Knowledge to Application
IEC 0 [1200280]: Solvation of a small peptide molecule in room-temperature ionic liquids
Youngseon Shim, yshim@andrew.cmu.edu
and Hyung J. Kim, hjkim@cmu.edu, Department of Chemistry, Carnegie Mellon University, 4400 Fifth Ave, Pittsburgh, PA 15213,
yshim@andrew.cmu.edu
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Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Poster
Consider for Sci-Mix: N
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
In this presentation, we discuss structural properties of a small peptide molecule with 6 residues modelled after metal-binding siderochrome immersed
in room-temperature ionic liquids (RTILs). We considered RTILs based on 1-butyl-3-methylimidazolium cations via molecular dynamics simulations in a
flexible, all-atom description. We studied two anionic species, hexafluorophosphate and chloride, to understand how the peptide stabilization is
influenced by anion properties such as hydrophobicity/hydrophilicity or hydrogen bonding capa bility. For additional insight, we also examined solvation in
two normal solvents, water and dimethylsulfoxide. It is found that chloride anion exerts a strong influence on peptide structure in solution through
significant modulation of hydrogen bonding. Also Coulombic interactions between the solute and RTILs play an important role. We will also consider
briefly transport properties of the peptide solute in RTILs.
1200686: Considering partial ionic dissociation with electrolytic excess Gibbs energy models in an asymmetric
12 of 20 3/30/2008 9:43 PM
Abstract Listing http://oasys.acs.org/acs/236nm/iec/sessions/print.cgi?username=28036&...
framework
Ionic Liquids: From Knowledge to Application
IEC 0 [1200686]: Considering partial ionic dissociation with electrolytic excess Gibbs energy models in
an asymmetric framework
Luke D. Simoni, Luke.D.Simoni.1@nd.edu, Chemical & Biomolecular Engineering, University of Notre Dame, 182 Fitzpatrick Hall, Notre Dame, IN
46556, Fax: 574-631-8366, Luke.D.Simoni.1@nd.edu, Alexander A. Augugliaro, aaugugli@nd.edu, Chemical and Biomolecular Engineering, University
of Notre Dame, Notre Dame, IN 46556, Joan F. Brennecke, jfb@nd.edu, Department of Chemical and Biomolecular Engineering, University of Notre
Dame, Notre Dame, IN 46556, and Mark A. Stadtherr, markst@nd.edu, Department of Chemical & Biomolecular Engineering, University of Notre Dame,
Notre Dame, IN 46556
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Poster
Consider for Sci-Mix:
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Ionic liquids (ILs), like all electrolytes, ionize to varying degrees in different phases, and adequate physical description of their ionic state is important to
modeling their liquid-liquid equilibrium (LLE) behavior. In this work, we show that LLE predictions are more accurate when the degree of electrolytic
dissociation is considered. We also use a simple, theoretical method for calculating the degree of IL dissociation using only conductivity and viscosity
measurements. These degrees of ionization are incorporated into well known electrolyte activity coefficient models, depending on mixed-solvent
dielectric constants and IL concentrations. An asymmetric framework allows discrete differences in the degree of ionization between liquid phases
enhancing the predictions further.
1200708: Shear reology of 1-butyl-3-methylimidazolium chloride cellulose solutions including solution character and
preparation
Ionic Liquids: From Knowledge to Application
IEC 0 [1200708]: Shear reology of 1-butyl-3-methylimidazolium chloride cellulose solutions including
solution character and preparation
John R. Collier, john.collier@eng.fsu.edu, Chemical and Biomedical Engineering, Florida State University, A164, FSU/FAMU College of Engineering,
Tallahassee, FL 32312, john.collier@eng.fsu.edu, Joy Watson, louise29072@yahoo.com, Technology Center 1700, US Patent and Trademark
Office, 126 Lancelot Court, Lexington, SC 29072, louise29072@yahoo.com, Billie Collier, bcollier@mailer.fsu.edu, Dean College of Human Sciences,
Florida State University, Tallahassee, FL 32312, and S Petrovan, , Department of Chemical Engineering, University of Tennessee, Knoxville, TN 37996
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Oral
Consider for Sci-Mix:
Special Equipment Needs: standard equipment
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
This study focused on the effects of preparation and composition on the shear rheology of cellulose in the ionic liquid 1-butyl-3-methylimidazolium
chloride ([Bmim]Cl) including different degrees of polymerization, (i.e. average molecular weight), manual versus high shear mixing and various
cellulose, lignin and hemicellulose concentrations. Solutions with lower degrees of polymerization behaved as viscous dominated liquids, and the
solution with the highest degree of polymerization showed viscoelastic properties. Mechanically prepared solutions exhibited viscoelastic properties
except for one solution. Lignin and xylose, a typical hemicellulose monomer, were added to some solutions to simulate the wood pulp composition
which increased the complex viscosity of solutions and displayed viscoelastic properties. The rheology implies that a liquid crystalline structure develops
at higher degrees of polymerization, higher concentration, and lower temperatures. The shear flow activation energies of the solutions were determined
from the shift factors with respect to temperature and were higher than some polymeric melts.
1200750: Degradability by design: 1-hydroxyimidazole-derived salts as stable, yet degradable ionic liquids
Ionic Liquids: From Knowledge to Application
IEC 0 [1200750]: Degradability by design: 1-hydroxyimidazole-derived salts as stable, yet degradable
ionic liquids
Gerhard Laus, gerhard.laus@uibk.ac.at1, Alexander Schwaerzler, alexander.schwaerzler@student.uibk.ac.at1, Michael Hummel, 1, Klaus Wurst, 1,
Volker Kahlenberg, 2, Guenther Bonn, 1, and Herwig Schottenberger, 1. (1) Faculty of Chemistry, University of Innsbruck, Innrain 52a, 6020 Innsbruck,
Austria, gerhard.laus@uibk.ac.at, alexander.schwaerzler@student.uibk.ac.at, (2) Institute of Mineralogy and Petrography, University of Innsbruck, 6020
Innsbruck, Austria
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
13 of 20 3/30/2008 9:43 PM
Abstract Listing http://oasys.acs.org/acs/236nm/iec/sessions/print.cgi?username=28036&...
Preferred Presentation Format: PosterOnly
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
‘Degradability by design' is a promising concept which has been implemented by the incorporation of a N–O moiety into imidazolium-based ionic liquids,
e.g. 1,3-dimethoxyimidazolium triflimide. There is ample evidence that ILs are not inert and can be degraded by oxidation or irradiation. In contrast,
reduction reactions are valuable for degradation of ILs as well as for synthetic purposes. 1,3-Dihydroxyimidazolium salts (diprotic Broensted-acidic ILs)
are readily reduced to imidazole, a natural product. 1,3-Dimethoxyimidazolium salts are also degradable to imidazole by stepwise catalytic
hydrogenation. From the intermediate 1-methoxyimidazole, 1-alkyl-3-methoxyimidazolium salts as new ILs can be generated which in turn can be
hydrogenated to 1-alkylimidazoles. The cationic species can be also destroyed under alkaline conditions. An unexpected degradation pathway under
mild alkaline conditions is presented. Alkaline or reductive conditions are both viable paths for waste-water treatment. Thus, ‘degradability by design'
may lead to even ‘greener' solvents and technical working fluids.
1202150: Molecular dynamics simulations of cellobiose in the ionic liquid 1-n-butyl-3-methylimidazolium chloride
Ionic Liquids: From Knowledge to Application
IEC 0 [1202150]: Molecular dynamics simulations of cellobiose in the ionic liquid
1-n-butyl-3-methylimidazolium chloride
Zhiwei Liu, z.liu@usip.edu 1, Richard C. Remsing, rremsing@mail.usp.edu2, Preston B. Moore, p.moore@usp.edu2, and Guillermo Moyna,
g.moyna@usp.edu2. (1) Department of Chemistry and Biochemistry, University of the Sciences in Philadelphia, West Center for Computational
Chemistry and Drug Design, 600 South 43rd Street, Philadelphia, PA 19104, Fax: 215-596-8543, z.liu@usip.edu, (2) Department of Chemistry &
Biochemistry and West Center for Computational Chemistry and Drug Design, University of the Sciences in Philadelphia, Philadelphia, PA 19104
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Poster
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
N,N'-Dialkylimidazolium ionic liquids (ILs) show promise as non-derivatizing “green” solvents for the dissolution and processing of cellulose. In order to
better understand how these ILs solvate this and other polysaccharides at the molecular level, we have performed molecular dynamics (MD) simulations
of cellobiose in 1-n-butyl-3-methylimidazolium chloride ([C4mim]Cl) at 0.5, 2.5, 5.0, 7.5 and 10.0 wt % at 363 K of 15 ns or more. Static and
thermodynamic quantities, such as radial distribution functions, 3D structural features of IL species and between [C4mim]Cl moieties and cellobiose,
and diffusion coefficients for the different species, have been derived from the simulations, and their relations to the weight concentrations of cellobiose
are analyzed. In particular, the interactions between [C4mim]Cl moieties and cellobiose molecules, in which the IL Cl- ions interact with the carbohydrate
OH groups through hydrogen bonding, are studied in detail. The simulation results agree well with 13C and 35/37Cl relaxation and 1H diffusion NMR
studies.
1202215: New Bronsted acidic TSILs. From computation-guided design to synthesis and properties
Ionic Liquids: From Knowledge to Application
IEC 0 [1202215]: New Bronsted acidic TSILs. From computation-guided design to synthesis and
properties
James H. Davis Jr., jdavis@jaguar1.usouthal.edu, Richard A. O'Brien, , Kaila M. Mattson, jdavis@jaguar1.usouthal.edu, Kyle Gaines,
jdavis@jaguar1.usouthal.edu, Brianne B. Plash, , Andrzej Wierzbicki, , and E. Allen Salter, , Department of Chemistry, University of South Alabama,
Chemistry 223, Mobile, AL 36688, Fax: 251-460-7359, jdavis@jaguar1.usouthal.edu
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Oral
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
As reagents or catalysts, task-specific ionic liquids (TSILs) incorporating strongly Bronsted acidic functional groups offer the same vapor-free and
(commonly) biphasic characteristics manifested by solid acid catalysts while being dust-free and immune to surface deactivation (coking). In the years
since our first report of these systems (2002), we have prepared a number of variants of our initial imidazolium and phosphonium based materials.
Recently, we have turned to ab initio calculations to guide our design process, to good effect. In this paper we will discuss the outcome of these
calculations as well as the simple, highly-efficient synthesis and properties of a library of new acidic TSILs and ionic soft materials (ISMs).
1202259: Improved chemical analysis of lignocellulosic biomass through dissolution into ionic liquids
Ionic Liquids: From Knowledge to Application
IEC 0 [1202259]: Improved chemical analysis of lignocellulosic biomass through dissolution into ionic
14 of 20 3/30/2008 9:43 PM
Abstract Listing http://oasys.acs.org/acs/236nm/iec/sessions/print.cgi?username=28036&...
liquids
Lindsey M. Kline, lkline@bushbros.com, Bush Brothers and Company, 1016 E. Weisgarber Rd., Knoxville, TN 37909, Rajesh Jena Kumar,
rjena@utk.edu, Biosystems Engineering and Soil Science, University of Tennessee, Knoxville, TN 37996-4531, Douglas G. Hayes,
dhayes1@utk.edu, Biosytems Engineering and Soil Science, University of Tennessee, 2506 E.J. Chapman Drive, Knoxville, TN 37996-4531, Fax:
865-974-4514, dhayes1@utk.edu, and Nicole Labbe, nlabbe@utk.edu, Department of Forestry, Wildlife & Fisheries, University of Tennessee, Forest
Products Center, Knoxville, TN 37996-4570
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Poster
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Rapid chemical analysis of lignocellulosic biomass is an enabling technology for the biorefinery, to allow for the proper pretreatment conditions to be
utilized, and to best direct the utilization of the specific feedstock; for example, cellulose-rich feedstocks directed toward biofuels production. The
currently employed protocol for determining the mass fraction of glucan, xylan, lignin, ash, and other components, is laborious, prone to error, and
presents safety hazards to the analytical chemist. We have employed dissolution of whole biomass into ionic liquids, [Emim] and [Bmim] salts, as a
means of improving the protocol. The mass fraction of lignin is determined directly through ultraviolet-visible spectrophotometry or mid-range FTIR
spectroscopy. The quantification of the saccharide units of cellulose and hemicellulose occurs via enzymatic hydrolysis in water-ionic liquid solutions.
The newly developed approach was applied to quantify the lignin and cellulose content of yellow poplar. The spectrophotometric and FTIR approaches
for lignin quantification were within 14% and 2% differences, respectively, of the result obtained using the standard protocol. The employment of
cellulase with water / [Bmim][Cl] (or [Emim][Cl] ) 90/10 v/v, followed by HPLC analysis, yielded a glucose a mass fraction 5-10% higher than that
predicted by the standard protocol.
1202456: Interfacial Mass Transport in Biphasic Ionic Liquid/Organic solvent Systems.
Ionic Liquids: From Knowledge to Application
IEC 0 [1202456]: Interfacial Mass Transport in Biphasic Ionic Liquid/Organic solvent Systems.
Azita Ahosseini, hosseini@ku.edu, Laurence Weatherley, lweather@ku.edu, and Aaron M. Scurto, ascurto@ku.edu, Department of Chemical and
Petroleum Engineering, University of Kansas, 4132 Learned Hall, 1530 W. 15th St., Lawrence, KS 66045, Fax: 785-864-4967, hosseini@ku.edu,
ascurto@ku.edu
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: OralOnly
Consider for Sci-Mix:
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
A variety of applications of ionic liquids (ILs) in reactions/catalysis, separations, sensors, etc. often are based upon biphasic systems (liquid-liquid,
liquid-vapor, solid-liquid, etc.). However, little interfacial mass transfer data exists in the literature for any systems, despite the large number of possible
ionic liquids, immiscible phases and potential solutes. Moreover, most experimental mass transfer rates measured at certain conditions are only valid in
narrow or limited ranges of solubility, viscosity, geometry, fluid flow regimes, etc. and require further experiments for other regions. Here, the phase
equilibrium, viscosity, diffusivity, interfacial tension, and interfacial mass transport will be presented for a model binary biphasic system, 1-octene and
1-hexyl-3-methyl-imidazolium bis(trifluoromethanesulfonyl)imide ([HMIm][Tf2N]), which has applications in catalysis and separations. Mass transfer data
will be presented for [HMIm][Tf2N]/1-octene for flat interfaces and for droplets of IL in a continuous organic phase. The robust mass transfer model of
Weatherley and Petera will be utilized to correlate and predict the mass transfer rates for this and any geometry and any hydrodynamic regime based
upon limited physical property and thermodynamic data.
1202506: Utilizing elongational flow in the spinning of carbon fiber precursors from 1-butyl-3-methylimidazolium
chloride cellulose solutions
Ionic Liquids: From Knowledge to Application
IEC 0 [1202506]: Utilizing elongational flow in the spinning of carbon fiber precursors from
1-butyl-3-methylimidazolium chloride cellulose solutions
RJ Sammons, rgelderl@utk.edu1, JR Collier, jcollier2@fsu.edu2, TG Rials, trials@utk.edu1, and S Petrovan, 3. (1) Forest Products Center, University
of Tennessee, 2506 Jacob Dr, Knoxville, TN 37996, rgelderl@utk.edu, (2) Chemical and Biomedical Engineering, FAMU/FSU, Tallahassee, FL 32320,
(3) Department of Chemical Engineering, University of Tennessee, Knoxville, TN 37996
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Oral
Consider for Sci-Mix:
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
15 of 20 3/30/2008 9:43 PM
Abstract Listing http://oasys.acs.org/acs/236nm/iec/sessions/print.cgi?username=28036&...
Abstract
A new developing area of research deals with the interactions of cellulose with environmentally benign solvents such as ionic liquids (ILs). In this case
the use of 1-butyl-3-methylimidazolium chloride [Bmim]Cl. From these solutions and utilizing elongational flow spinning techniques, highly oriented,
highly crystalline, low defect fibers were produced. One prime consideration for carbon fiber precursors was the degree and size of defects. The
elongational flow imposition of orientation inside the hyperbolic dies was especially effective since defects are compressed by the die walls rather than
expanded in free surface drawing. By comparing the fibers spun using differing rheological parameters, an understanding of how the cellulose fibers
orient and crystallize under different conditions was determined.
1202625: Study of ionic liquid solvation and aggregation by NMR spectroscopy and molecular dynamics simulations
Ionic Liquids: From Knowledge to Application
IEC 0 [1202625]: Study of ionic liquid solvation and aggregation by NMR spectroscopy and molecular
dynamics simulations
Richard C. Remsing, rremsing@mail.usp.edu1, Zhiwei Liu, z.liu@usip.edu2, Brendan B. O'Brien, 3, and Guillermo Moyna, g.moyna@usp.edu1. (1)
Department of Chemistry & Biochemistry and West Center for Computational Chemistry and Drug Design, University of the Sciences in Philadelphia,
600 South 43rd Street, Philadelphia, PA 19104, rremsing@mail.usp.edu, (2) Department of Chemistry and Biochemistry, University of the Sciences in
Philadelphia, Philadelphia, PA 19104, (3) Department of Chemistry & Biochemistry, University of the Sciences in Philadelphia, Philadelphia, PA 19104
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Poster
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Solvation and aggregation in solutions of N,N'-dialkylimidazolium ILs and water or dimethylsulfoxide (DMSO) were examined using 1H and 35/37Cl
chemical shift perturbations, 13C and 35/37Cl relaxation, and 1H diffusion measurements, in combination with molecular dynamics (MD) simulations. By
probing concentrations ranging from the neat IL to near-infinite dilution, the NMR experiments show that although some level of aggregation is observed
at high salt concentrations, these ILs behave as typical electrolytes in aqueous solutions with both ions solvated by water at low concentrations. On the
other hand, the interactions between cations and anions appear to strengthen as the concentration of DMSO increases. These results were
corroborated by MD simulations at representative IL:solvent compositions, which were also instrumental to examine the static and dynamic behavior of
the systems at the atomic level. The implications of these findings on the use of IL-based solvent systems is discussed.
1202643: Task-specific ionic liquids (TSILs) based on heterocyclic cations with directly ring-attached aldehyde and
benzoyl groups. Hydrate and Acetal Formation
Ionic Liquids: From Knowledge to Application
IEC 0 [1202643]: Task-specific ionic liquids (TSILs) based on heterocyclic cations with directly
ring-attached aldehyde and benzoyl groups. Hydrate and Acetal Formation
Kaila M. Mattson, jdavis@jaguar1.usouthal.edu, James H. Davis Jr., jdavis@jaguar1.usouthal.edu, Richard A. O'Brien, , and Kyle Gaines,
jdavis@jaguar1.usouthal.edu, Department of Chemistry, University of South Alabama, Chemistry 223, Mobile, AL 36688, jdavis@jaguar1.usouthal.edu
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: PosterOnly
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
While all aldehydes and ketones are susceptible to the equilibrium formation of hydrates and acetals, those directly attached to strongly
electron-withdrawing moieties are especially susceptible. In this poster we will outline the synthesis and characterization of several new task-specific
ionic liquids (TSILs) based on N-heterocyclic cations with aldehyde or benzoyl groups directly attached to the ring. We will discuss the behavior of these
species vis-a-vis hydrate and acetal formation, and their potential utility as slow-release materials.
1202769: Vibrational spectrum of [emin][TF2N] ion pair : A density functional study.
Ionic Liquids: From Knowledge to Application
IEC 0 [1202769]: Vibrational spectrum of [emin][TF2N] ion pair : A density functional study.
Nilesh Ramchandra Dhumal, ndhumal@andrew.cmu.edu
and Hyung J Kim, , Department of Chemistry, Carnegie Mellon University, 4400 Fifth Ave., Pittsburgh, PA 15213, ndhumal@andrew.cmu.edu
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: PosterOnly
Consider for Sci-Mix:
16 of 20 3/30/2008 9:43 PM
Abstract Listing http://oasys.acs.org/acs/236nm/iec/sessions/print.cgi?username=28036&...
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
In present study, density functional method is employed to study molecular interactions in 1-ethyl-3-methylimidazolium and
bis(trifluromethylsulfonyl)imide ions. Different conformers are simulated with respect to the possible molecular interactions between cation and anion in
gas the phase and a continuum solvent environment. Manifestation of these molecular interactions in different environments as seen in vibrational
spectra is discussed. Comparison of theoretical results is also made with experimental observations. Direction of the frequency shifts of characteristics
vibrations relative to those in free anion and cations are explained by calculating difference electron density coupled with electron density topography.
1202813: Designed to decompose. Task-specific ionic liquids incorporating N-acylium and N-sulfonylium cations
Ionic Liquids: From Knowledge to Application
IEC 0 [1202813]: Designed to decompose. Task-specific ionic liquids incorporating N-acylium and
N-sulfonylium cations
Kyle Gaines, jdavis@jaguar1.usouthal.edu, James H. Davis Jr., jdavis@jaguar1.usouthal.edu, Richard A. O'Brien, , and Kaila M. Mattson,
jdavis@jaguar1.usouthal.edu, Department of Chemistry, University of South Alabama, Chemistry 223, Mobile, AL 36688, jdavis@jaguar1.usouthal.edu
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: PosterOnly
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Though far less common than quaternization by alkylation, quaternization of tertiary amines and N-heterocycles by acylation or sulfonylation is also
known. However, unlike typical quaternary ammonium cations, the latter are quite reactive and decompose when exposed to protic nucleophiles. In this
poster, we will discuss our efforts to prepare ionic liquids containing cations with these types of labile functionalities, and will outline some potential uses
for these types of compounds.
1203382: Electrochemical studies of the fries rearrangement in ionic liquids
Ionic Liquids: From Knowledge to Application
IEC 0 [1203382]: Electrochemical studies of the fries rearrangement in ionic liquids
Graham T. Cheek, cheek@usna.edu, Chemistry Department Stop 9b, United States Naval Academy, Stop 9b, 572M Holloway Road, Annapolis, MD
21402, Fax: 410-293-2218, cheek@usna.edu
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Oral
Consider for Sci-Mix:
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
The Fries rearrangement, involving the rearrangement of aromatic esters to hydroxyketones, has been studied in various ionic liquids. Most of the
present work has been carried out in aluminum chloride : 1-ethyl-3-methylimidazolium chloride or in 1-ethyl-3-methylimidazolium tetrafluoroborate. The
reaction is catalyzed by Lewis acids ( aluminum chloride, boron trifluoride, titanium(IV) chloride ), and the progress of the reaction has been followed
using electrochemical methods such as cyclic voltammetry.
1203457: Comparative toxicity of branched and straight chain alkyl functionality in ionic liquids
Ionic Liquids: From Knowledge to Application
IEC 0 [1203457]: Comparative toxicity of branched and straight chain alkyl functionality in ionic liquids
Catherine McEntee, CMcentee@Kingsborough.edu1, Jinhee Gwon, jcgwon@gmail.com2, Xing Li, XLI89@tigermail.qcc.cuny.edu2, James F.
Wishart, wishart@bnl.gov3, and Sharon I. Lall-Ramnarine, slallramnarine@qcc.cuny.edu2. (1) Biology, Kingsborough Community College, CUNY, 2001
Oriental Boulevard, Brooklyn, NY 11235, Fax: 718-368-4873, CMcentee@Kingsborough.edu, (2) Department of Chemistry, Queensborough Community
College, CUNY, Bayside, NY 11364, (3) Department of Chemistry, Brookhaven National Laboratory, Upton, NY 11973
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: Poster
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
17 of 20 3/30/2008 9:43 PM
Abstract Listing http://oasys.acs.org/acs/236nm/iec/sessions/print.cgi?username=28036&...
In this work a series of imidazolium, pyridinium and pyrrolidinium halide salts have been prepared and converted into ionic liquids bearing phosphate
and bis(trifyl)imide anions. ILs were synthesized using both straight and branched chain alkyl substituents of varying chain lengths. Reaction conditions
were kept constant with the exception of temperature which was varied to produce ILs with varying degrees of color. The effects of purity (in terms of
color), alkyl chain length and branching were examined using microorganism and in vitro seed germination assays. Preliminary results for halide ILs
indicate that chain length affects toxicity as expected from reports in the literature. Color (purity) does not seem to have an effect on toxicity. Further, the
seed germination assay appears to be several-fold more sensitive than the assay using microorganisms. This work was supported in part at BNL by the
U.S. DOE Office of Basic Energy Sciences under contract # DE-AC02-98CH10886.
1203510: Tetraalkylphosphonium polyoxometalates as novel ionic liquids
Ionic Liquids: From Knowledge to Application
IEC 0 [1203510]: Tetraalkylphosphonium polyoxometalates as novel ionic liquids
Mark L. Dietz, dietzm@uwm.edu, Department of Chemistry & Biochemistry, University of Wisconsin - Milwaukee, 3210 N. Cramer Street, Milwaukee,
WI 53211, dietzm@uwm.edu, Paul G. Rickert, rickert@anl.gov, Chemistry Division, Argonne National Laboratory, Argonne, IL 60439-4831, Mark R.
Antonio, , Chemical Sciences & Engineering Division, Argonne National Laboratory, Argonne, IL 60439, Millicent A. Firestone, firestone@anl.gov,
Materials Science Division, Argonne National Laboratory, Argonne, IL 60439, James F. Wishart, wishart@bnl.gov, Department of Chemistry,
Brookhaven National Laboratory, Upton, NY 11973, Tomasz Szreder, tomaszek@bnl.gov, Chemistry Department, Brookhaven National Laboratory,
Upton, NY 11973, and Karrie-Ann Kubatko, kkubatko@miami.edu, Department of Geological Sciences, University of Miami, Coral Gables, FL
33146-0401
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: PosterOnly
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
The pairing of a Lindqvist or Keggin polyoxometalate (POM) anion, redox-active metal-oxide clusters formed via the pH-controlled condensation of
d-block metal-oxygen octahedra (M-O6, with for example, M = Mo6+ and W6+) and p-block tetrahedra (X-O4, with for example, X = Al3+, Si4+, and
P5+), with an appropriate tetraalkylphosphonium cation, [R3R′P]+, has been shown to yield an original family of ionic liquids, among them salts liquid at
or near ambient temperature. Detailed characterization of the physicochemical properties of several such “liquid POMs” by a combination of thermal
analysis, voltammetry, temperature-dependent viscometry, and conductance measurements suggests various potential applications for these IL-POM
composites in separations, electrochemistry, and catalysis.
1204239: Generation and detection of radicals in ionic liquids
Ionic Liquids: From Knowledge to Application
IEC 0 [1204239]: Generation and detection of radicals in ionic liquids
Jason A. C. Clyburne, jason.clyburne@smu.ca, Department of Chemistry, Saint Mary's University, 923 Robie St., Halifax, NS B3H 3C3, Canada,
jason.clyburne@smu.ca, Khashayar Ghandi, kghandi@mta.ca, Department of Chemistry, Mount Allison University, Sackville, NB E4L 1G8, Canada,
and Charles Walsby, , Department of Chemistry, Simon Fraser University, Burnaby, BC V5A 1S6, Canada
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: PosterOnly
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Ionic liquids offer hope for curbing the volume of emissions from processes involving volatile organic solvents and, perhaps more importantly, afford an
opportunity to perform new or unprecedented chemistry on the industrial scale. Central to the use of ionic liquids as solvent systems for reactive
molecules is an understanding of their decomposition pathways. Perhaps the most significant and detrimental side reaction of many ionic liquids is their
reactivity with basic or electron rich species. In many cases, deprotonation reactions or decomposition of the ionic liquid through electrochemical
processes results in unwanted side reactions. We have prepared new solutions of phosphonium ionic liquids containing reactive species such as
borane and Grignard reagents, and have studied their reactivity in some detail. For instance, Grignard reagents form persistent solutions in
phosphonium ionic liquids, and in these highly polar media, they undergo facile electron transfer reactions. Furthermore, using the hydrogen atom
surrogate muonium, we have generated transient radicals and compared their properites in both ionic and molecular solvents.
1204248: Influence of the Anionic Species of a Molten Salt on Lipid Organization
Ionic Liquids: From Knowledge to Application
IEC 0 [1204248]: Influence of the Anionic Species of a Molten Salt on Lipid Organization
Kervin O. Evans, Kervin.Evans@ars.usda.gov, New Crops & Processing Technology, NCAUR-ARS, USDA, 1815 N. University Street, Peoria, IL
61604, Kervin.Evans@ars.usda.gov
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
18 of 20 3/30/2008 9:43 PM
Abstract Listing http://oasys.acs.org/acs/236nm/iec/sessions/print.cgi?username=28036&...
Preferred Presentation Format: Oral
Consider for Sci-Mix: N
Special Equipment Needs: standard
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Room-temperature molten salts have become the solvent of choice to replace organic solvents in processing commodity plant lipids. By replacing the
typical organic solvent with molten salts, one reduces common hazards such as volatility and flammability that are associated with organic solvent use.
In addition, molten salts are excellent alternatives to organic solvents because the salts have chemical/thermal stability, high ionic conductivity, excellent
electrochemical stability, and tuneability for chemical/physical properties. The effects that a series of 1-buty-3-methylimidazolium-based
room-temperature molten salts had on lipid organizations were explored. Fluorescence microscopy was used to determine whether four molten salts
affected how phospholipids organized into giant unilamellar vesicles. Analysis showed that the general spherical shape was not affected much, but
secondary structures such as aggregation and concentric behaviors were affected. Further work continues that assesses whether or not increased
concentrations of molten salts have greater effects on lipid organization. These fundamental findings should shed light on how best to process lipids in
room-temperature molten salts.
1204338: Template-Free Recyclable Growth of Magnetite Nanocrystals in Neat Ionic Liquid
Ionic Liquids: From Knowledge to Application
IEC 0 [1204338]: Template-Free Recyclable Growth of Magnetite Nanocrystals in Neat Ionic Liquid
Jonathan D. Woodward, woodwardjd@ornl.gov 1, Adam J. Rondinone, rondinoneaj@ornl.gov2, and Gary A. Baker, 1. (1) Chemical Sciences
Division, Oak Ridge National Laboratory, 4500N, 1 Bethel Valley Road, Oak Ridge, TN 37831, woodwardjd@ornl.gov, (2) Center for Nanophase
Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6201
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: OralOnly
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
We focus primarily on the production of magnetite nanocrystals (NCs) synthesized via thermal decomposition of an organometallic precursor within the
room temperature ionic liquid (RTIL) trihexyltetradecylphosphonium bis(trifluoromethanesulfonimide), [P6,6,6,14][Tf2N], which plays the dual role of bulk
solvent and templating (coordinating) agent. The magnetite phase was confirmed by powder x-ray diffraction (PXRD) while transmission electron
microscopic (TEM) results reveal relatively monodispersed nanocrystals in the absence of large aggregates. X-ray fluorescence (XRF) and FTIR
measurements indicate the presence of [P6,6,6,14][Tf2N] as capping agent on the NC surface. The cleaned NCs are well dispersed in hexane and other
apolar solvents, whereas they are insoluble in polar solvents such as the lower alcohols. A concentrated dispersion within the RTIL produces a
“solvent-less” magnetically-responsive ionoferrofluid. Highly crystalline, narrow dispersion magnetite NCs are also formed by recovering and reusing the
RTIL phase, validating the recyclability of the RTIL in the production of various metal oxides by this approach.
1204467: New amine functionalized ionic liquids for multi-mode acid gas capture
Ionic Liquids: From Knowledge to Application
IEC 0 [1204467]: New amine functionalized ionic liquids for multi-mode acid gas capture
James H. Davis Jr., jdavis@jaguar1.usouthal.edu, Richard A. O'Brien, , Kyle Gaines, jdavis@jaguar1.usouthal.edu, and Kaila M. Mattson,
jdavis@jaguar1.usouthal.edu, Department of Chemistry, University of South Alabama, Chemistry 223, Mobile, AL 36688, Fax: 251-460-7359,
jdavis@jaguar1.usouthal.edu
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Comments to Organizer: I have requested an 'oral only' and 'oral preferred' presentation for two other abstracts; two others have been submitted as
poster only. While I would really prefer to present the 'oral only' in that form, I am happy to be flexible as to the mode of pre
Preferred Presentation Format: Poster
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
We recently reported a highly efficient 'combi-click' approach for the synthesis of libraries of amine-functionalized task-specific ionic liquids (TSILs) and
ionic soft materials (ISMs) for use in the reactive capture of CO2 (Chem. Mater., 2007). All of the reactive ions prepared using this approach featured
secondary amine groups, which were found to facilitate the gas capture via carmbamate formation. In the present paper we will discuss the extension of
this approach to the creation of TSILs with tertiary amines and with both tertiary/ and secondary amine functionalities, capable of gas capture via the
formation of both carbamates and carbonates.
1204504: Development of the Polymer Actuator Based on the Polymer Electrolyte Composed of Ionic Liquids and
ABA-type Triblock Copolymers
Ionic Liquids: From Knowledge to Application
19 of 20 3/30/2008 9:43 PM
Abstract Listing http://oasys.acs.org/acs/236nm/iec/sessions/print.cgi?username=28036&...
IEC 0 [1204504]: Development of the Polymer Actuator Based on the Polymer Electrolyte Composed of
Ionic Liquids and ABA-type Triblock Copolymers
Satoru Imaizumi, d07ga511@ynu.ac.jp, Yuichi Kato, , Hisashi Kokubo, , and Masayoshi Watanabe, mwatanab@ynu.ac.jp, Department of Chemistry
01,
and Biotechnology, Yokohama National University, 79-5 Tokiwadai, Hodogaya-ku, Yokohama 240-85 Japan, d07ga511@ynu.ac.jp
ACCEPTED
Topic Selection: Ionic Liquids: From Knowledge to Application: Poster Session
Invited: N
Preferred Presentation Format: PosterOnly
Consider for Sci-Mix: Y
Conforms to Bylaw 6: Y
Last Modified: 2008-03-30
Abstract
Highly ion-conducting polymer electrolytes can be applied for a wide variety of solid-state electrochemical devices due to their inherent properties such
as film processability, flexibility, practicable ionic conductivity, and wide potential window. Recently, many researches on the application of an
ion-conducting polymer electrolyte to ionic EAPs (electroactive polymers) have been seen. In this research, we have developed a new polymer actuator
using ABA-type triblock copolymers. The blockcopolymers where the B segment is selectively soluble in an ionic liquid, form flexible, transparent, and
self-standing gels ("ion-gel") by mixing with an ionic liquid due to the self-assembly of the blockcopolymers. The ionic conductivity and mechanical
properties of the ion-gels were investigated. Moreover, the obtained ion-gels were applied to polymer actuators. The actuators have a trilaminar
structure, where an ion-gel film was sandwiched between two flexible carbon electrodes, and were evaluated in terms of the actuation-performance.
20 of 20 3/30/2008 9:43 PM
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