Chemical Mechanism Development (CMD)
CMD SUBPROJECT CO-ORDINATOR Ulrich Schurath (D)
CMD STEERING COMMITTEE : GPP: Jozef Peeters, working group co-ordinator, Leuven (B); Ian Barnes, vice co-ordinator, Wuppertal (D); Micheal Jenkin, Imperial College, Ascot (UK) APP: HEP: Hartmut Herrmann, working group co-ordinator, Leipzig (D); Cornelius Zetzsch, vice co-ordinator, Hannover (D); Rainer Vogt, working group co-ordinator, Aachen (D); Christian George, vice co-ordinator, Lyon (F); Markus Ammann, PSI Villigen (CH) MPM: Dirk Poppe, working group co-ordinator and convenor of the CMD Data Review Panel, Jülich (D); William Stockwell, Reno (Nevada, USA); Hartmut Herrmann, Leipzig (D)
 The members of the CMD Steering Committee represent the four working groups of CMD, "Gas Phase Processes (GPP)", "Aqueous Phase Processes (APP)", "Heterogeneous Phase Processes (HEP)", and "Multi-Phase Modelling (MPM)". For reasons of manageability, the working groups have their own coordinators and vice co-ordinators.
Subgroup "Gas Phase Processes" (GPP): GPP1 GPP2 GPP3 GPP5 GPP6 GPP7 GPP9 I. Barnes, Wuppertal (D): Development of Oxidation Mechanisms for Aromatic Hydrocarbons and their Unsaturated Difunctional Products. A. Chakir, Reims (F): Kinetic Investigation of Self Reactions of Substituted Organic Radicals. P. Devolder, Lille (F): Oxidation of Higher Alkanes: Rates and Products of the Reactions of Alkoxy Radicals. J. Hjorth, Ispra (I): Atmospheric Degradation Pathways for Biogenic and Aromatic VOC. M. Jenkin, Ascot (UK): Development and Application of Explicit Chemical Mechanisms for the Gas-Phase Oxidation of VOC. R. Lesclaux, Bordeaux (F): Kinetic and Mechanistic Studies of Radical Reactions Important in Tropospheric VOC Oxidation Processes. E. Martinez, Ciudad-Real (SP): Reactivity studies of atmospheric oxidants with different series of VOCs.
GPP10 A. Mellouki, Orléans (F): Kinetics and Mechanisms of OH-Initiated Oxidation of Oxygen-Containing VOC's. GPP11 G.K. Moortgat, Mainz (D): Ozone Oxidation of Selected Alkenes: The Fate of the Criegee Radicals. GPP12 O.J. Nielsen, Copenhagen (DK): Atmospheric Chemistry of Oxygen-Containing Compounds. GPP13 J. Peeters, Leuven (B): Experimental, Theoretical and Modelling Studies of the Oxidation of Volatile Organic Compounds. GPP14 M. Pilling, S. Saunders, Leeds (UK): Development and Application of a Master Chemical Mechanism for Tropospheric Oxidation. GPP18 H. Sidebottom, Dublin (IE): Mechanisms and Ozone Formation Potentials for Atmospheric Oxidation of Oxygenated Organic Compounds. GPP20 C. Vinckier, Leuven (B): Kinetic Study on the Degradation Mechanisms of Selected Terpenes with Hydroxyl Radicals. GPP21 R.P. Wayne, Oxford (UK): Tropospheric Oxidation of Biogenic Compounds. GPP22 F. Zabel, Stuttgart (D): The atmospheric fate of long-chain alkoxy radicals. GPP23 R. Zellner, Essen (D): The Role of Alkoxy-Radicals in VOC's-Oxidation Mechanisms. GPP24 C. Zetzsch, Hannover (D): OH-Initiated Degradation Mechanisms of Aromatic and Photooxidant-Forming Cycles of HOx. GPP25 J.-F. Doussin, Paris (F): Kinetics and mechanisms of peroxy radical-NO3 peroxyacyl radical-NO3 reactions under simulated tropospheric conditions. GPP26 G. Marston, D.W. Price, Reading (UK): Mechanisms for the oxidation of biogenic VOCs and alkenes p. 2
GPP27 C.J. Nielsen, Oslo (N): Study of OH and NO3 reactions with aldehydes GPP28 G. Tonachini, Torino (I): Theoretical study of the tropospheric nitration mechanism of small aromatics, as benzene, naphthalene, phenol, cresols, and benzaldehyde Subgroup "Aqueous Phase Processes" (APP): APP3 APP4 APP7 APP8 I. Grgi‰, Ljubljana (SI): The Role of Soluble Constituents of Atmospheric Aerosols in Aqueous Phase Oxidation Mechanisms of Trace Gases. H. Herrmann, Leipzig (D): Interactions of Free Radicals with Organics within the Tropospheric Aqueous Phase. R. Losno, Paris (F): Trace metals dissolution affecting aqueous chemistry. W. Pasiuk-Bronikowska & T. Bronikowski, Warsaw (PL): Transformations of Atmospheric Constitutents and Pollutants Induced by S(IV) Autoxidation-Chemistry and Kinetics.
APP10 B. Rindone, Milano (I): Atmospheric Nitration of Polar Aromatic Compounds. APP12 P. Warneck*, Mainz (D): (*Special contributor to CMD-APP). APP14 C. Zetzsch, Hannover (D): Nitration and Halogen-Activation in Seaspray Droplets in the Presence of Ozone. APP 15 Ch. George, Lyon (F): Aqueous phase reactivity of oxygenated VOCs APP 16 C. Zetzsch, Hannover (D): Fate of nitrogen oxides in clouds and their chemical reactions with dissolved phenolic compounds (former PROCLOUD contribution) APP 17 A. Monod, Marseille (F): Kinetic and mechanistic studies of tropospheric aqueous phase photochemistry of soluble organic compounds Subgroup "Heterogeneous Phase Processes" (HEP): HEP1 HEP2 HEP3 HEP4 HEP5 HEP6 HEP7 HEP9 M. Ammann, Villigen (CH): Heterogeneous Formation of HONO on Tropospheric Aerosol Particles W. Behnke, Hannover (D): The Interaction of Sea-spray Aerosol with Gas-Phase Chemistry. B. Belan, Tomsk (RUSSIA): Modelling of Chemical and Photochemical Processes in Special Big Volume (2000 m3) Aerosol Chamber. J. Crowley, Mainz (D): Kinetic Investigations of Heterogeneous Tropospheric Processes. Th. Hoffmann, Dortmund (D): Laboratory Studies on Secondary Organic Aerosol Formation from Tropospheric VOC Oxidation P. Mirabel, Strasbourg (F): Experimental Investigation of Uptake Kinetics on Liquids. G.K. Moortgat, Mainz (D): Organic Aerosol Formation Processes in the Photooxidation of VOC's. M.J. Rossi, Lausanne (CH): Laboratory Studies of Tropospheric Heterogeneous Reactions: Approach to an Increased Level of Realism.
HEP10 H. Saathoff, Karlsruhe (D): Aerosol Chamber Studies of the Loss and Formation of Reactive Intermediates on Tropospheric Aerosols. p. 3
HEP13 R. Vogt, Aachen (D): Laboratory Studies of Heterogeneous Reactions on Soot and Mineral Aerosol Surfaces. HEP14 A. Wahner, Jülich (D): Heterogeneous Reactions of Nitrogen Oxides on Aerosol Surfaces. HEP15 P. Wiesen, Wuppertal (D): Investigation of Heterogeneous Conversion Processes of Tropospheric Oxidants on Water and Ice Surfaces. HEP16 R. Zellner, Essen (D): Heterogeneous Loss and Conversion Processes of Tropospheric Oxidants on Water and Ice Surfaces. HEP18 Y. Gershenzon, Moscow (RUSSIA): Uptake of atmospheric radicals by soot and ice (approval by SSC pending). HEP 19 R.A. Cox, Cambridge (UK): Reactivity of Model Aerosols for Heterogeneous Atmospheric Reactions. HEP 20 U. Pöschl, München (D): Reactivity and Degradation Products of Polycyclic Aromatic Compounds on Soot. Subgroup "Multi-Phase Modelling" MPM: MPM2 H. Geiger, Wuppertal (D): Development and Reduction of Atmospheric Degradation Mechanisms of Oxygenated VOC. MPM4 H. Herrmann, Leipzig (D): Modelling of Reaction Mechanisms for Tropospheric Aqueous Phase Free Radical Chemistry. MPM6 D. Poppe, Jülich (D): Development of Scenarios for Testing Reaction Schemes. MPM9 W.R. Stockwell, Reno (NV, USA): An Objective Approach to the Further Development of Organic Mechanisms for the Regional Atmospheric Chemistry Mechanism. MPM10 B. Vogel, Karlsruhe (D): Evaluation of New Chemical Mechanisms for Ozone Episodes in the Regional Scale with Numerical Simulations. MPM11 F. Kirchner, Lausanne (CH): Sensitivity study of the influence of lumping in chemical mechanisms applying the programme CHEMATA / further defelopment of CHEMATA
Aims of the proposed subproject
The overall objective of CMD is: to develop a robust, application-oriented, scientifically sound kinetic scheme of atmospheric chemical transformations of pollutants over Europe, upon which cost-effective environmental control and abatement strategies of photo-oxidants and acidic substances can be based. Important aims of the CMD subproject are • to develop detailed mechanisms for the tropospheric degradation of hitherto neglected volatile organic compounds (VOCs), in particular aromatics and oxygenated compounds including alternative fuels and fuel additives, and certain biogenics; • to understand the role of free radicals and other reactive intermediates in the atmospheric aqueous phase, identify their sources and sinks, quantify pH and ionic strength effects, and develop a detailed mechanism of cloud, fog water and aerosol chemistry; p. 4
• to measure transport and kinetic parameters controlling formation of new particulate matter and heterogeneous transformations on surfaces of condensed atmospheric matter (aerosol particles, cloud droplets, ice crystals), working out detailed process models; • to create a data base of evaluated mechanistic data on gas-phase, aqueous-phase, and heterogeneous reactions, including information on the relative importance of each reaction in the real atmosphere; • to simplify (reduce) the schemes of gas phase and aqueous phase reactions and of the heterogeneous processes by means of scenario-dependent modelling-based sensitivity analyses; • to develop application-oriented chemical codes which meet the criteria of cost-effectiveness as well as scientific correctness, to provide a basis for modelling-guided abatement strategies.
In developing strategies for reducing the anthropogenic contribution to secondary pollutants, in particular photo-oxidants and acidifying compounds, modelling has become an indispensable tool of policy makers. Since detailed chemical mechanisms are far too complex to be solved in CTMs (chemistry-and-transport models), so-called "reduced" (simplified) chemical codes are needed. However, it can be shown that any reduced code is reliable only within a specified range of environmental conditions. Thus, for a rapidly changing environment, scientifically sound procedures must be established by which application-oriented reduced chemical codes can be generated. Scientific soundness requires that the best available detailed mechanism is used as basis of the reduction procedure. CMD has identified three major gaps in our scientific understanding of chemical transformations in the atmosphere: • incomplete or incorrect degradation pathways of certain biogenic VOCs and of important VOC emissions from motor vehicles, in particular aromatics and oxygenated compounds, since changes in fuel formulation, chemical composition of additives, and engine/catalyst performance have occurred in recent years, and will continue to occur in the future; incomplete understanding/knowledge of aqueous phase reaction mechanisms and of important rate parameters of radicals as well as other reactive intermediates in clouds/fog and aerosols, of their photochemical sources, their impact on photo-oxidant levels in the gas phase and on the composition and acidity of rain water; the impact of poorly understood or even unknown heterogeneous processes on the formation and loss of reactive intermediates/photo-oxidants in the gas phase, and on acidic substances formation, e.g. via the partitioning of sulphur dioxide and ammonia between dry and wet deposition, new particle formation by homogeneous nucleation, change of particle properties, and particle growth.
Advanced experimental techniques and theoretical approaches will be combined in three process-oriented working groups, "Gas Phase Processes (GPP)", "Aqueous Phase Processes (APP)", and "Heterogeneous Phase Processes (HEP)", in order to close these gaps. These groups will establish comprehensive kinetic data sets, and develop box modelling-based simplified mechanisms for the gas phase, the aqueous phase, and for heterogeneous processes. In order to focus research on priority processes, an independent "Multi-Phase Modelling (MPM)" group has been established for the first time in a chemical processes-oriented p. 5
subproject. MPM will take part in the development and application of tools for the reduction of reaction schemes. MPM will also assist in the design of experiments to be carried out in large atmospheric simulation chambers, which can address application-oriented questions in a more direct phenomenological way if carried out under the guidance of model designers. The evolving laboratory data will be evaluated by an independent Review Panel, to be convened by one of the MPM co-ordinators. A major task of the Panel is quality assurance of the data produced by the CMD projects, and the creation of a data base. However, not only will the experimental uncertainties be assessed: the relative atmospheric importance of the reactions to which the data apply will also be taken into account. The Panel will serve as a link between CMD and other subprojects like AEROSOL, PROCLOUD, GLOREAM, LOOP, MEPOP and SATURN as potential users of the data base and of reduced models.
Introduction Although our understanding of gas-phase processes involved in the tropospheric degradation of volatile organic compounds (VOCs) has been significantly advanced within recent years, many key transformation steps which are vital for the construction of chemical mechanisms are still inadequately known. Major areas of uncertainty include the oxidation mechanisms of aromatic hydrocarbons, with an estimated contribution to urban ozone formation as high as 40 %, of biogenic and oxygen-containing VOCs, alkenes, and longer-chain alkanes. The problem of oxygenated compounds is compounded by their increasing use as fuel additives and solvents, and therefore demands a thorough understanding of the degradation mechanisms. Even less is known about the involvement of the atmospheric aqueous phase in tropospheric degradation processes, in particular about the coupling between the degradation mechanisms in both phases (Herrmann, 1996). While the importance of heterogeneous chemistry on tropospheric aerosols has recently been brought into focus (Schurath, 1996), next to nothing is known about reactions on solid surfaces and in concentrated solutions of deliquescent aerosol particles. In developing strategies for reducing the anthropogenic contribution to secondary pollutants, in particular photo-oxidants and acidifying compounds, modelling has become an indispensable tool of policy makers. Since detailed chemical mechanisms are far too complex to be solved in CTMs (chemistry-and-transport models), so-called "reduced" (simplified) chemical codes are needed. However, it can be shown that any reduced code is reliable only within a specified range of environmental conditions. Thus, for a rapidly changing environment (most obviously in the Eastern European Countries), scientifically sound procedures must be established by which application-oriented reduced chemical codes can be generated. Scientific soundness requires that the best available detailed mechanism is used as basis of the reduction procedure. Incomplete knowledge prohibits the formulation of reduced chemical codes for CMTs which should realistically describe the formation of photooxidants and of acidifying compounds, as well as the maintenance of ambient OH radical concentrations. OH radicals (assisted, perhaps, by halogen atoms in polluted coastal regions where NOx-SO2-sea salt interactions occur) are of paramount importance since they determine the capability of the troposphere to digest and remove anthropogenic pollutants. This important property thus controls the "oxidising capacity" of the atmosphere. The "oxidising capacity" is also an important climate p. 6
factor which affects ambient levels of several climate forcing gases, such as methane. Furthermore, it also affects the ozone layer by controlling the input of chlorine- and brominecontaining source gases into the stratosphere. The still limited success of modelling-based photo-oxidant control strategies and other field observations call in question the completeness and scientific correctness of the chemical mechanisms which are presently used to predict, among other things, ambient OH levels (Kuhn et al., 1998). Laboratory measurements are required to improve already existing data, and provide hitherto non-existent mechanistic and kinetic data. Laboratory data need to be evaluated and assembled into data bases to be most useful to the developers of chemical mechanisms for air quality models. The ideal data source would provide data on gas-phase, aqueous-phase and heterogeneous reactions. Important examples of sources of evaluated mechanistic and thermodynamic data are the NASA reviews (DeMore et al., 1997), the IUPAC reviews (Atkinson et al., 1992; 1996), and a recent compilation of solubility data (Sander, 1996). However, although these reviews are of critical importance to the developers of tropospheric chemical mechanisms these are not completely adequate sources of the necessary data: the NASA reviews are focussed upon the data required to model the stratosphere, the IUPAC reviews are limited to gas-phase chemistry of the troposphere, and the solubility data are still incomplete as far as atmospherically relevant compounds are concerned. Scientific objectives CMD has identified three major gaps in our scientific understanding of chemical transformations in the atmosphere: • incomplete or incorrect degradation pathways of certain biogenic VOCs and of important VOC emissions from motor vehicles, in particular aromatics and oxygenated compounds, since changes in fuel formulation, chemical composition of additives, and engine/catalyst performance have occurred in recent years, and will continue to occur in the future; incomplete understanding/knowledge of aqueous phase reaction mechanisms and of important rate parameters of radicals as well as other reactive intermediates in clouds/fog and aerosols, of their photochemical sources, their impact on photo-oxidant levels in the gas phase and on the composition and acidity of rain water; the impact of poorly understood or even unknown heterogeneous processes on the formation and loss of reactive intermediates/photo-oxidants in the gas phase, and on acidic substances formation, e.g. via the partitioning of sulphur dioxide and ammonia between dry and wet deposition, new particle formation by homogeneous nucleation, change of particle properties, and particle growth.
In order to close these gaps, a proper combination of specialist's know-how and advanced experimental and theoretical approaches is needed. These requirements are ideally met within each of the process-oriented working groups GPP, APP, and HEP, who will establish comprehensive kinetic data sets, and develop box modelling-based simplified mechanisms for the gas phase, the aqueous phase, and for heterogeneous processes. However, a further focussing of forces is absolutely necessary for reasons of cost-effectiveness: e.g., a reaction which turns out to be important in an aqueous phase box model may be negligible in the real atmosphere, where transport processes and chemical reactions in different phases interact and compete with each other, and vice versa. In order to focus the research activities within these working groups on priority processes in the sense of cost-effectiveness, and to accelerate the utilisation of first-hand kinetic p. 7
information in the field modelling subprojects of EUROTRAC-2, an independent multi-phase modelling group has been established for the first time in a chemical processes-oriented subproject. MPM will play an active part in the development and application of tools for the reduction of reaction schemes, in order to generate simplified chemical codes which can be used operationally and routinely in CTMs. Reductions for typical scenarios of trace gas composition and meteorological conditions in the boundary layer, the free troposphere, etc., will follow a well documented set of rules. This will allow inaccuracies of the reduced code, for its application to specific scenarios in the atmosphere, to be related with the inaccuracies of individual rate parameters in the underlying detailed chemical mechanism. MPM will also assist in the design of experiments to be carried out in large atmospheric simulation chambers: since it will never be possible to follow the degradation pattern of complex VOC mixtures in every detail, chamber studies can address application-oriented questions in a more direct phenomenological way if carried out under the guidance of model designers. For reasons outlined in the introduction, the presently available sources of evaluated mechanistic data are not completely adequate for air quality modelling applications. To improve the situation, and to assure the quality of experimental data provided by the processoriented CMD projects, an independent CMD Data Review Panel will be established. The size of the panel will be limited to ten experts and a convenor, to insure that it can work effectively. The proposed structure of the panel is as follows: CMD Data Review Panel (* identifies members of the CMD Steering Committee) Convenor: Dirk Poppe, Jülich (D) GPP: APP: HEP: MPM: J. Peeters* (B), I. Barnes* (D), M. Jenkin (UK), G. LeBras (F) P. Warneck (D), H. Herrmann* (D) U. Schurath* (D), M. Rossi (CH) D. Poppe* (D), B. Vogel (D)
The purpose of the CMD Data Review Panel is to provide chemical mechanism developers with evaluated mechanistic data in a form that is most useful for the improvement of models. In view of the meteorological conditions typically encountered over Europe, it must include chemical reactions in clouds, on the surfaces of aerosols, and on other condensed atmospheric matter including the ice phase. Not only will the data be evaluated and the uncertainties assessed, but the relative importance of the reactions will also be evaluated. This will turn out to be a valuable tool of subproject management because it helps the experimental groups to focus on the most important reactions and processes. Relationship to the objectives of EUROTRAC-2 The experimental and modelling activities of CMD are important to the objectives of EUROTRAC-2 because assessments of the effects of pollutant emissions on air quality depend strongly on the chemical mechanisms used in the models. The subgroups of CMD, guided and controlled by the CMD Data Review Panel, provide the input, in the form of mechanistic information and kinetic data, which is needed to construct a detailed chemical mechanism. The MPM subgroup makes sure that the detailed mechanism is complete and consistent, and that the necessary reduction to a simplified chemical code is carried out in a scientifically sound way. Thus, CMD provides to a large extent the scientific understanding on which cost-effective environmental abatement and control strategies in Europe can be based. It also furnishes powerful tools for meeting the challenges of a changing atmosphere p. 8
over Europe. Potential application to environmental policy development Chemical transport models are the most flexible tool for policy makers who have to decide on environmental issues. CMD will, by a unique combination of advanced laboratory techniques and theoretical tools for comprehensive mechanism development on the one hand, and scientifically sound methods for mechanism reduction on the other, sharpen this tool by increasing the overall accuracy of CTMs for a wide range of environmental conditions, as dictated by the variability of the atmosphere over Europe. It is often argued that chemical mechanisms have reached a sufficient degree of accuracy because changes in model design are practically undetectable under field conditions, owing to the overwhelming influence and variability of meteorological parameters. However, in the domain of policy making models are most frequently used as tools for studying effects of alternative emission control measures on air quality. In such modelling exercises meteorological variability does not come into play, while poor model design may lead to false ranking of control measures, with serious consequences for society if the ranking is used as a basis for decision making. Proposed activities In contrast to large scale activities such as field campaigns, kinetic studies can be carried out rather independently in different laboratories. While being a great advantage on the one hand, this independence can lead to incoherence, with a tendency of duplication where results are easily accessible, and the leaving of gaps where a larger effort would be necessary. The Steering Committee of CMD is aware of the problem. It has therefore established the CMD Data Review Panel who will, in cooperation with the MPM working group, streamline the acitvities of the experimental projects. While each of the process-oriented working groups will carry out their own data evaluation, construction of detailed chemical mechanisms, mechanism reduction, and validation of reduced schemes, an overall effort, taking into account possible interactions between gas phase, aqueous phase, and particulate matter would be beyond the scope of the individual working groups. It will thus be an important task of the CMD Data Review Panel, in collaboration with the MPM group, to guide the experimental projects, focussing them on those reactions and processes which matter under complex atmospheric conditions. New laboratory data will be provided to the CMD Data Review Panel through the coordinators of the gas-phase, aqueous-phase and heterogeneous reactions groups in the form of reports, pre-prints and reprints of published papers. The MPM group will provide the atmospheric scenarios that will be used by the panel to assess the relative importance of the reactions. The data will be evaluated by examining the uncertainties in each parameter which contribute to the overall uncertainty of the final result, and through inter-comparison of duplicate measurements from different laboratories, if available, to disclose systematic errors. The relative importance of each reaction will then be assessed through simulation of standard atmospheric scenarios and sensitivity analysis. Quality assurance A major purpose of the data evaluation is to provide an estimate of the quality of the data produced through the CMD project. The evaluation of the uncertainty in a reported mechanism parameter is basically an estimate of the quality of the measurement and chemists' knowledge of the parameter. The quality of the CMD data evaluations will be insured through independent checking by each panel member. Publication of the final results in peer reviewed p. 9
journals will provide an additional level of quality control. Data base An evaluated data base will be assembled following a style that is similar to the IUPAC evaluations. A data page for each reaction with the best experimental measurements, evaluations of uncertainties and evaluations of the reaction's importance will be created. We anticipate that the data base will be published in the peer reviewed literature such as the Journal of Physical and Chemical Reference Data. A version of the data base may also be provided through the Internet and/or EUROTRAC-2 reports. Operational plan and time scales The operational plan of CMD will be strongly influenced by the activities of the Data Review Panel which will also set the priorities for the reactions and processes to be studied with the tools provided by the experimental groups. The following time scale is envisaged for the activities of the Data Review Panel: • Selection of initial panel members completed Summer 1997 • First planning meeting of panel members, preferentially synchronised with a CMD workshop Fall 1997 Fall 1998 • Meeting to review progress of 1st data evaluation • Release of 1st evaluation Winter 1998 A similar time scale will be followed for successive years. We anticipate the release of an updated evaluation every 1.5 to 2 years throughout the duration of the project. CMD workshops will be organised on an annual basis, to communicate recent results, stimulate discussions, and co-ordinate future work. The first workshop will be organised by Markus Ammann (member of the HEP working group) at the ETH Zurich, 25 - 26 September 1997. It will be followed by a similar event 23 - 25 September 1998 in Karlsruhe. Annual Progress Reports will be published in the form of Workshop Proceedings which contain extended abstracts of the oral presentations and poster contributions. Collaboration foreseen with other subprojects A strong positive overlap already exists between the CMD and PROCLOUD subprojects: The co-ordinator of CMD is member of the PROCLOUD steering group, and several PIs are active in both subprojects. While PROCLOUD is essentially a field measuring project, emphasising the role of organics in cloudwater, it also hosts a small group of laboratory experimentalists, as well as a strong modelling group who will include the relevant heterogeneous chemistry in their models. These activities will be supported by CMD. Other modelling-oriented subprojects (GLOREAM, to some extent SATURN), as well as subprojects which compare field observational data with modelling results (LOOP, MEPOP), will interact with CMD. The CMD subgroups HEP and APP will establish links with AEROSOL. Plans for assessment and integration of results The data evaluations will be a major contribution to the assessment and the integration of the laboratory results. It will provide the necessary mechanistic data in a format that can be used by the wider EUROTRAC-2 community and to the international community as well. References Atkinson, R., D.L. Baulch, R.A. Cox, R.F. Hampson, J.A. Kerr and J. Troe, Evaluated kinetic p. 10
and photochemical data for atmospheric chemistry: supplement IV; IUPAC Subcommittee on gas kinetic data evaluation for atmospheric chemistry, J. Phys. Chem. Ref. Data 21, 11251568, 1992 Atkinson, R., D.L. Baulch, R.A. Cox, R.F. Hampson, J.A. Kerr and M.J. Rossi and J. Troe, Evaluated kinetic and photochemical data for atmospheric chemistry: supplement V; IUPAC Subcommittee on gas kinetic data evaluation for atmospheric chemistry, Atmos. Environ. 30, 1996 De More, W.B., S.P. Sander, D.M. Golden, R.F. Hampson, M.J. Kurylo, C.J. Howard, A.R. Ravishankara, C.E. Kolb and M.J. Molina, Chemical Kinetics and Photochemical Data for Use in Stratospheric Modelling, Evaluation Number 12 (January 15, 1997). NASA JPL, CALTEC, Pasadena, CA, JPL Publication 97-4, http://remus.jpl.nasa.gov/jpl97/ Herrmann, H., H.-W. Jacobi, G. Raabe, A. Reese, Th. Umschlag and R. Zellner, Free Radical Reactions in the Tropospheric Aqueous Phase. Review Lecture, presented at the 7th European Symposium on Physico-Chemical Behaviour of Atmospheric Pollutants, „The Oxidising Capacity of the Troposphere“, Venice, October 2-4, 1996 Kuhn, M., P.J. Builtjex, D. Poppe, D. Simpson, W.R. Stockwell, Y. Andersson-Sköld, A. Baart, M. Das, F. Fiedler, Ø. Hov, F. Kirchner, P.A. Makar, J.B. Milford, M.G.M. Roemer, R. Ruhnke, A.Strand, B. Vogel and H. Vogel, Atmos. Environ. 32 (1998) 693-709 Sander, R., Compilation of Henry's Law Constants for Inorganic and Organic Species of Potential Importance in Environmental Chemistry, Version 2, November 4, 1996, http://www.mpch-mainz.mpg.de/~sander/res/henry.html Schurath, U., Aerosols in Atmospheric Chemistry, pp. 55-60 in "Proceedings of EUROTRAC Symposium '96, Vol. 1", P.M. Borrell, P. Borrell, T. Cvitaš, K. Kelly and W. Seiler (Eds.), Computational Mechanics Publication, Southampton 1996
Justification for Inclusion of Principal Investigators
GAS PHASE PROCESSES (GPP) A. Experimental and theoretical kinetic and mechanistic studies of VOC oxidation processes Among the many gaps in the treatment of gas phase tropospheric chemistry and photooxidant formation, the most important ones concern: aromatic degradation mechanisms, alkene reaction products including biogenics, the chemistry of oxygenated compounds, and reaction products of larger alkoxy radicals derived from alkanes. These problem areas will be addressed in CMD-GPP. A1 The OH-initiated oxidation of aromatics It is estimated that the oxidation of aromatic VOC contributes up to 40% to the formation of ozone and other photo-oxidants in urban areas. Yet, the oxidation mechanisms of aromatic VOC are still very uncertain, representing one of the most important remaining problems in chemical models of tropospheric photo-oxidant formation. Four groups will focus on the major areas of uncertainty, by experimental studies, using different, complementary techniques. Contributing projects: GPP1, 4, 5, 24, 28 p. 11
A2 Oxidation of alkenes and biogenic VOC initiated by OH, O3 and NO3 In the OH-initiated oxidation of alkenes - a class that includes most of the biogenics - an overriding issue is still the site(s) of the primary OH-attack, with implications for the nature of the primary oxidation product(s). This uncertainty is especially troublesome for a VOC class so large in number and so varied in nature (i.a. the terpenes). Another important problem is the reactivity of the $-hydroxylalk(en)ylperoxy and -oxy radicals. Regarding ozonolysis, the nature and fate of the Criegee intermediates and the yield of hydroxyl radicals thereby are still controversial. Concerning the NO3-initiated oxidation, the (distribution of) the primary product(s) and the kinetics and mechanisms of their subsequent oxidation need to be clarified. Finally, little is known to date about the degradation chemistry of natural (biogenic) organohalogen compounds, including the products of the addition of Cl-atoms to biogenic VOC. Contributing projects: GPP2, 3, 5, 7, 9, 11, 13, 14, 16, 20, 21, 23, 25, 26 A3 Higher Alkanes (and haloalkanes) The major remaining uncertainties regarding the OH-initiated oxidation of larger alkanes concern the fates of larger peroxy and alkoxy radicals, in particular C5-C9. Contributing projects: GPP2, 3, 7, 14, 15, 17, 19, 22, 23, 25 A4 The oxidation of oxygenated organics. Oxygenated compounds such as ethers and alcohols, are currently used as alternative fuels and as fuel additives. In addition, ethers and esters are increasingly being used as solvents. Moreover, carbonyl compounds, hydroxides and (hydro-) peroxides are intermediates in the oxidation of all hydrocarbons. Therefore, the better characterisation of the atmospheric degradation of oxygenated organics is of high research priority. Contributing projects: GPP5, 8, 10, 12, 18 B. Development of comprehensive, detailed oxidation mechanisms for classes of VOC. Reduction of mechanisms. The second major activity within GPP will be the formulation of improved descriptions for the atmospheric degradation of the various classes of VOC. Reaction schemes and kinetic parameters that are already well established will be collected from the recent literature. For aromatics, biogenics, larger alkenes, complex oxygenated compounds and larger alkanes, the kinetic and mechanistic data obtained in CMD and in other current research programmes will be adopted, after evaluation by the CMD review panel. B1 Comprehensive degradation schemes Improved, detailed chemical degradation mechanisms, that adequately describe the oxidation of VOC and the formation of photo-oxidants and other secondary pollutants, will be developed by six groups. Contributing projects: GPP1, 6, 10, 14, 16, 18 B2 Reduced mechanism development. For use in high-resolution chemistry/transport tropospheric photo-oxidant models, the VOC oxidation schemes must necessarily be reduced first. Providing such reduced mechanisms, designed specifically for modelling ozone and other photo-oxidants over Europe, will be a major task in CMD-GPP. The reduction will be based on sensitivity and pathway analyses, and implemented by (a combination of) various strategies, in close p. 12
interaction with providers of data, the CMD review panel, and modellers. The reduced mechanisms will be validated by comparison with explicit schemes, with simulation data and field measurements. Contributing projects: GPP10, 13, 14, 15, 18, 23, 25 AQUEOUS PHASE PROCESSES (APP) A. Experimental studies A1 Aqueous phase reactions of stable organic constituents, coupling with and feedback to the gas phase Aqueous phase conversion processes involving stable soluble degradation / oxidation products of important gas-phase constituents, such as DMS, terpenes, aromatics, NMHC and methane, have to be investigated. In particular, reactions of carbonyls in solution are not well understood at present, and are not included in current models of the tropospheric aqueous phase. A new aspect of these studies will be phytotoxic or otherwise harmful compounds originating from gas-phase / aqueous-phase interactions. Contributing projects: APP1, 3, 4, 10, 14, 15, 17 A2 The role of free radical reactions Reactions in the aqueous phase of OH, SOx-, NO3, X and X2- (X = Cl, Br), RO2/HO2 have up to now been investigated only in part, and little is known about their T-dependencies. The same applies to ionic strength effects. There is also a serious lack of knowledge concerning mechanisms of free radical reactions with aromatics in the tropospheric aqueous phase. Contributing projects: APP1, 4, 5, 8, 17 A3 Effects of transition metal ions (TMIs) and synergisms The influence of the most effective transition metal ions (e.g. Fe, Mn) on oxidation mechanisms in the aqueous phase, and in particular synergistic effects, may considerably change our current understanding of tropospheric aqueous phase chemistry. Contributing projects: APP2, 6, 7, 11 A4 Oxidant formation and photocatalytic processes A number of photochemical processes in the aqueous phase may contribute to the formation of dissolved radicals. Only some out of several possible photochemical OH sources have hitherto been investigated systematically. Processes to be investigated include the photolysis of organic carbonyls which lead to the formation of H2O2, and the photocatalytic generation of OH in the presence of transition metal oxides from tropospheric aerosols. Contributing projects: APP4, 9, 14 A5 Nitrogen containing species conversions and redox chemistry The role of NO2 in the aqueous phase, HONO conversion mechanisms, N(III) / S(IV) interactions, NOy redox behaviour, and NO2+, NO+ reactivities, which are poorly understood at present, must be studied. Contributing projects: APP10, 11, 13, 14 p. 13
B. Mechanism development and reduction This important task will amalgamate the results of the EURTRAC-1 subproject HALIPP with new kinetic information from CMD-APP projects in EUROTRAC-2. Contributing projects: APP1, 4, 7, 12 HETEROGENEOUS PHASE PROCESSES (HEP) A. Processes involving inorganic aerosols Although organics contribute up to 40% to aerosol mass, the dominant fraction consists of inorganic material like seasalt, sulfuric acid, sulphates, mineral dust, and black carbon. The proposed work focuses on heterogeneous loss of trace gases and chemical conversions to more reactive compounds. The contributions comprise studies of pure gases on bulk material in coated wall/wetted wall flow tubes and in Knudsen cells, investigations of single particles which combine levitation techniques with sophisticated analytical tools, aerosol flow tube work, and aerosol chamber studies. Redundant studies of the same processes by different experimental techniques are desirable, if not necessary, to minimise systematic errors. A1 Heterogeneous radical loss and NOx conversion processes The most likely compounds to react with particulate matter are longer living open shell species, including the "stable" radicals NO2 and NO3. Their loss directly affects the oxidising capacity of the troposphere. Of comparable importance are heterogeneous reactions of certain closed-shell species, e.g. the hydrolysis of N2O5, or the generation of HONO. Several kinetic methods and analytical techniques will be applied to investigate these reactions. Contributing projects: HEP1, 4, 9 - 19. A2 Halogen activation Photochemically active chlorine and bromine compounds may be emitted when N2O5 and other reactive molecules interact with deliquescent seasalt particles. Activated halogens, which are held responsible for sudden tropospheric ozone losses in arctic spring, also affect the oxidising capacity of the polluted marine boundary layer. Further laboratory work is needed before a comprehensive mechanism can be set up. Contributing projects: HEP2, 4, 6, 9, 11, 19 A3 Direct ozone loss on particles In view of recent conflicting evidence concerning loss rates of ozone and other oxidising species on various aerosol materials, additional studies seem warranted. Significant losses are most likely to occur on elemental carbon particles including Diesel soot. Conversely, particles consisting essentially of elemental carbon may eventually be oxidised by ozone to yield gaseous products, CO and/or CO2. Contributing projects: HEP3, 9, 13, 17, 18 A4 Uptake and adsorption kinetics on droplets, deliquescent aerosols, and solid particulate matter Heterogeneous reactions on aqueous and dry surfaces are likely to proceed in steps, mass accommodation / adsorption at the surface being followed by uptake of the loosely bound p. 14
precursor into the liquid and/or reaction. Sophisticated experimental techniques are required to unravel these mechanisms including competitive adsorption effects, in order to be able to model heterogeneous reaction rates properly. Contributing projects: HEP1, 2, 6, 9, 11, 16, 19 A5 Aerosol chamber experiments While homogeneous reactions can be studied under idealised laboratory conditions, heterogeneous reactions often can not. One reason is that surface reactions are susceptible to ageing, and that systems of different trace gas composition may give rise to different rates due to competitive adsorption effects. Aerosol chamber experiments are important tools to study ageing, synergisms and antagonisms under controlled atmospheric conditions. Contributing projects: HEP3, 5, 10, 14, 15, 17 A6 Reactions on cryoaerosols Reactions on cryoaerosols, which are known to occur under polar stratospheric conditions, may also be important in the upper troposphere, e.g. in the contrails of aircraft, or in cirrus clouds. Contributing projects: HEP4, 10, 16, 18 B. Processes involving organic aerosol matter Oxidation of volatile anthropogenic or biogenic precursors may give rise to organic aerosol formation. Reaction mechanisms yielding organic products with extremely low vapour pressures must be elucidated, organic compounds contributing to aerosol growth and/or new particle formation must be identified, and effects of organic coatings on aerosol properties must be investigated. Furthermore, reactions of organic coatings must be studied and their reaction products identified. Contributing projects: HEP5, 7, 10, 20 C. Heterogeneous process modelling and reduced mechanism development The ultimate goal of HEP is to provide mechanisms of heterogeneous processes which can be integrated in multiphase models, develop reduced mechanisms, and test the mechanisms experimentally. Contributing projects: HEP2, 4 - 14, 16 MULTI-PHASE MODELLING (MPM) The task of the MPM working group is to provide a scientifically sound application-oriented multi-phase chemical scheme which correctly describes chemical transformations of trace constituents along with the formation of acidifying substances and photooxidants, in particular ozone. A. Updating and extending existing chemical schemes A1 Gas-phase Improving chemical codes based on already existing or upcoming new kinetic data is a prerequisite of scientifically sound chemical codes. Contributing projects: MPM1, 2, 3, 9 p. 15
A2 Aqueous phase chemistry There is still an urgent need of developing comprehensive schemes of chemical transformations in the droplet phase of cloud and fog water which fulfil the requirements of coupling with the gas-phase chemistry modules. Contributing projects: MPM4, 7, in collaboration with several APP projects A3 Heterogeneous process modelling A better understanding of heterogeneous processes is necessary, and proper ways of implementing these processes into chemical multiphase models is necessary. Contributing projects: MPM3, 4, 7, in collaboration with the HEP projects. B. Sensitivity studies and reduction techniques for chemical multiphase schemes B1 Definition of scenarios Scenarios (trace gas levels, meteorological conditions) typical of the boundary layer, the free troposphere, etc., must be defined. These scenarios should serve the laboratory kineticists as tools to assess, by means of simple box models, the relevance of selected chemical reactions with regard to environmental issues, in particular the formation of photooxidants and acidifying compounds. Contributing projects: MPM4-7, 9, 10, in collaboration with the CMD Data Review Panel. B2 Sensitivity studies Sensitivity studies will be conducted with models of varying complexity (everything between box models and 3D-CTMs). The purpose is to determine to which degree of accuracy kinetic information is needed in order to meet the accuracy requirements of policy makers with regard to specific environmental issues. Contributing projects: MPM1, 2, 3, 5, 9, 11, in collaboration with GPP21 B3 Generation of reduced chemical schemes Detailed (and thus "correct") chemical schemes are too complex to include them, e.g., in high resolution CTMs. Therefore, objective strategies must be developed and tested by which detailed mechanisms can be reduced without significant loss of accuracy for application-oriented work (e.g. Schöps and Poppe, 1997). Contributing projects: MPM2, 3, 5, 9, 10, 11 Reference Schöps O., and D. Poppe, Reduction of chemical reaction schemes for the troposphere. Air and Waste Management Association 90th Annual Meeting and Exhibition, Toronto, June 813, 1997
Organisation of the Subproject
SUBPROJECT CO-ORDINATOR Ulrich Schurath (D), assisted by the CMD Steering Committee (= Working Group coordinators and vice co-ordinators) STEERING GROUPS (*also members of the CMD STEERING COMMITTEE:) "Gas Phase Processes" (GPP): Jozef Peeters*, co-ordinator, Leuven (B); radicals p. 16
Ian Barnes*, vice co-ordinator, Wuppertal (D); aromatics Jens Hjorth, Ispra (I); alkenes and biogenic VOCs Wahid Mellouki, Orléans (F); oxygenated VOCs Sandra Saunders (GB); mechanism construction and reduction "Aqueous Phase Processes" (APP): Hartmut Herrmann*, co-ordinator, Leipzig (D) Cornelius Zetzsch*, vice co-ordinator, Hannover (D) Wanda Pasiuk-Bronikowska, Warsaw (PL) Working Group "Heterogeneous Phase Processes" (HEP): Rainer Vogt*, co-ordinator, Aachen (D) Christian George*, vice co-ordinator, Strasbourg (F) Markus Ammann, Villigen (CH) Working Group "Multi-Phase Modelling" MPM: Dirk Poppe*, co-ordinator, Jülich (D) William Stockwell*, Reno (NV, USA)
- Time schedule envisaged: Year GPP APP HEP MPM Workshops and Review Panel Meetings Release of evaluated data - Estimated man-years and yearly costs: 1997 Pers./man-years GPP APP HEP MPM Yearly cost / k€ GPP APP HEP MPM 37 20.8 22.7 7 1721 827 1595 765 1998 46 22.5 30.8 7 2218 944 1920 765 1999 45 23.0 29.8 6 2000 919 1763 765 2000 36 20.8 27.2 6 1604 736 1193 765 2001 36 20.8 27.2 7 1604 736 1193 765 2002 36 20.8 27.2 7 1604 736 1193 765 1997 ****** ****** ****** ****** * 1998 ****** ****** ****** ****** * * 1999 ****** ****** ****** ****** * 2000 ****** ****** ****** ****** * * 2001 ****** ****** ****** ****** * * 2002 ****** ****** ****** ****** * *
Prof. Ulrich Schurath, CMD Co-ordinator IMK, Atmosphärische Aerosolforschung, Bau 326 Postfrach 3640 D-76021 Karlsruhe, Germany Tel.: ++49-(0)7247-82-2659 E-mail: email@example.com FAX: ++49-(0)7247-82-4332
Principal Investigators, ordered by subgroup
GPP, Gas-Phase Processes: Dr. Ian Barnes Bergische Universität-GH Wuppertal Physikalische Chemie / FB 9 Gauss Str. 20 D-42097 Wuppertal Tel: ++49 202 439 2510 E-mail: firstname.lastname@example.org Fax: ++49 202 439 2505 Dr. Abdel Chakir Laboratoire de Chimie Physique - GSMA - URA D1434 Université de Reims Champagne-Ardenne BP 1039 F-51687 Reims Cedex 2 Tel: E-mail: Abdel.Chakir@univ-reims.fr Fax: ++33 3 2605 3147 Prof. Pascal Devolder Laboratoire de Cinétique et Chimie de la Combustion Université des Sciences et Technologies de Lille F-59655 Villeneuve d' Ascq Cedex Tel: ++33 3 20 43 44 85 E-mail: Pascal.Devolder@univ-lille1.fr Fax: ++33 3 20 43 69 77 Dr. Jean-François Doussin Laboratoire Interiuniversitaire des Systèmes Atmosphériques (LISA) Université Paris 7 et Paris 12 Unité Mixte de Recherche CNRS 7583 Faculté des Sciences 61 Av. Du Général de Gaulle F-94010 Créteil Cedex Tel.: ++33-01 45 171589 p. 19
email@example.com ++33-01 45 171564
Dr. Christa Fittschen (Project cancelled, but wants to be kept informed) Laboratoire de Cinétique et Chimie de la Combustion Université de Lille 1 Cité Scientifique, Bât. C11 F-59655 Villeneuve d' Ascq Tel: ++33 3 20 33 72 66 E-mail: firstname.lastname@example.org Fax: ++33 3 20 43 69 77 Dr. Jens Hjorth European Commission Joint Research Centre-Ispra Environment Institute, T.P. 272 I-21020 Ispra (VA) Tel.: ++39 0332 789076 E-mail: email@example.com Fax: ++39 0332 785837 Dr. Michael Jenkin Department of Environmental Science and Technology Imperial College Silwood Park Ascot, Berkshire SL5 7PY, UK Tel: +44 207 594 2514 E-mail: firstname.lastname@example.org Fax: +44 207 594 2339 Prof. Robert Lesclaux LPPM - Université Bordeaux I F-33405 Talence Cedex France Tel: ++33 5 56 84 63 06 E-mail: email@example.com Fax: ++33 5 56 84 66 45 Dr. George Marston University of Reading Department of Chemistry Whiteknights PO Box 224 Reading RG6 6AD, UK Tel.: ++44 118 931 6343 E-mail: firstname.lastname@example.org Fax: ++44 118 931 6331 Prof. Ernesto Martinez Universidat de Castilla la Mancha p. 20
Quimica-Fisica Facultad de Quimicas. Campus Universitario SP-13071 Ciudad-Real Tel: ++34 26-295336 and ++34 26-295300 E-mail: email@example.com Fax: ++34 26-295818 Dr. Abdelwahid Mellouki CNRS-Laboratoire de Combustion et Systèmes Réactifs (LCSR) 1C avenue de la Recherche Scientifique F-45071 ORLEANS Cedex 2 Tel: ++33 238 25 76 12 E-mail: firstname.lastname@example.org Fax : ++33 238 25 79 05 Dr. Geert K. Moortgat Max-Planck-Institut fhr Chemie Division of Atmospheric Chemistry Postfach 3060 D-55020 Mainz Tel: ++49 6131 305 476 Email: Moo@mpch-mainz.mpg.de Fax: ++49 6131 305 436 Prof. Ole John Nielsen University of Copenhagen Department of Chemistry, KL5 Universitetsparken 5 DK-2100 Krbenhavn q Tel: ++45-35320331 Email: email@example.com Fax: ++45-35350609 Prof. Claus Joergen Nielsen Department of Chemistry University of Oslo P.O.Box 1033 Blindern N-0315 Oslo Tel: ++47 2285 5680 e-mail: firstname.lastname@example.org Fax: ++47 2285 5441 Prof. Jozef Peeters Catholic University of Leuven (KU Leuven) Department of Chemistry Celestijnenlaan 200 F B-3001 Heverlee Tel: ++32 16 327382 E-mail: Jozef.Peeters@chem.kuleuven.ac.be Fax: ++32 16 327992 p. 21
Prof. Michael Pilling University of Leeds School of Chemistry, University of Leeds Leeds, LS2 9JT, UK Tel: ++44 113 233 6465 E-mail: email@example.com Fax: ++44 113 233 6465 Dr. Sandra Sauners Department of Physical Chemistry University of Leeds Leeds LS2 9JT, UK Tel: ++44 113 233 6486 E-mail: firstname.lastname@example.org Fax: ++44 113 233 6565 Prof. Howard Sidebottom Department of Chemistry University College Dublin Belfield, Dublin 4, Ireland Tel: 353 1 706-2293 E-mail: Howard.Sidebottom@ucd.ie Fax: 353 1 706-2127 Prof. Glauco Tonachini Università di Torino Dipartimento di Chimica Generale ed Organica Applicata Corso Massimo D’Azeglio, 48 Tel: +39-011-6707648 e-mail: email@example.com Fax: +39-011-6707642 Prof. Chris Vinckier Catholic University of Leuven (KU Leuven) Department of Chemistry Celestijnenlaan 200 F B-3001 Heverlee Tel: ++32 16 327376 E-mail: Chris.Vinckier@chem.kuleuven.ac.be Fax: ++32 16 327992 Prof. Richard P. Wayne University of Oxford Physical and Theoretical Chemistry Laboratory South Parks Road Oxford OX1 3QZ, UK Tel.: ++44 1865 275434 E-mail: firstname.lastname@example.org Fax: ++44 1865 275410 p. 22
Prof. F. Zabel Institut für Physikalische Chemie Universität Stuttgart Pfaffenwaldring 55 D-70569 Stuttgart Tel.: ++49-711-6854423 E-mail: email@example.com Fax: ++49-711-685-4495 Prof. R. Zellner Institut für Physikalische und Theoretische Chemie Universität-GH-Essen D-45117 Essen Tel: ++49 201 1833073 / 74 E-mail: firstname.lastname@example.org Fax: ++49 201 1833228 Prof. Cornelius Zetzsch Fraunhofer-Institut für Toxikologie und Aerosolforschung Abteilung Atmosphärenchemie Nikolai-Fuchs-Str. 1 D-30625 Hannover Tel: ++49 511 5350463 E-mail: email@example.com Fax: ++49 511 5350155 APP, Aqueous Phase Processes: Dr. Christian George CNRS - Université Claude BERNARD Lyon Laboratoire d'Application de la Chimie à l'Environnement 43, boulevard du 11 Novembre 1918 F-69622 VILLEURBANNE Tel: ++33-4-72 43 14 89 E-mail: Christian.George@univ-lyon1.fr Fax: ++33-4-78 94 19 95 Dr. Y. Gershenzon Center for Fundamental Research of Atmospheric Chemistry Institute of Chemical Physics Academy of Sciences 4 Kosygin st. Moscow – 117977, Russia Tel: 007-095-938-7494 E-mail: firstname.lastname@example.org (not working!) FAX: 007-095-938-2156 Dr. Irena Grgi‰ National Institute of Chemistry p. 23
Hajdrihoua 19 P.O. Box 30 SLO-61115 Ljubljana Tel.: ++386 61 1760361 E-Mail: email@example.com Fax: ++386 61 1259244 Prof. Dr. Hartmut Herrmann Institut für Troposphärenforschung Permoserstr. 15 D-04303 Leipzig Tel: ++49-(0)341 235 2446 E-Mail: firstname.lastname@example.org Fax: ++49-(0)341 235 2325 Dr. Rémi Losno Laboratoire Interuniversitaire des Systèmes Atmosphériques (URA CNRS 1404) Faculté des Sciences, Universités Paris 7 et Paris 12 61, av. du Général de Gaulle F-94010 Créteil Cedex Tel.: E-Mail: losno@lisa,univ-paris12.fr Fax: ++33(1)4517-1564 Dr. Anne Monod Equipe Physico chimie de la pollution atmosphérique Laboratoire Chimie et Environnement Université de Provence Case 29 3 place Victor Hugo F-13331 Marseille Cedex 3 Tel.: ++33(0)491 10 62 27 E-Mail: Anne.Monod@up.univ-mrs.fr FAX: ++33(0)491 10 63 77 Prof. Dr. Wanda Pasiuk-Bronikowska Polish Academy of Sciences Institute of Physical Chemistry ul. Kasprazaka 44/52 PL-01-224 Warszawa Tel.: ++48-(22)-6324874 E-Mail: email@example.com Fax: ++48-39-120238 Prof. Dr. Bruno Rindone Dipartimento di Scienze dell’ Ambiente e del Territorio Universita di Milano Via Emanueli 15 I-20126 Milano p. 24
Tel.: E-Mail: Fax:
++39-02-64482813 Bruno.Rindone@unimib.it ++39-02-64482890
Prof. Dr. Cornelius Zetzsch Fraunhofer Institut für Toxikologie und Aerosolforschung Abt. Physikalische Chemie Nikolai-Fuchs-Str. 1 D-30625 Hannover Tel.: ++49-(0)511-5350483 E-Mail: firstname.lastname@example.org Fax: ++49-(0)511-5350155 HEP, Heterogeneous Processes: Dr. Markus Ammann Paul Scherrer Institute Laboratory of Radio- and Environmental Chemistry CH-5232 Villigen / PSI Tel.: ++41 56 310 4049 e-mail: email@example.com fax: ++41 56 310 4435 Dr. Wolfgang Behnke Fraunhofer-Institut für Toxikologie und Aerosolforschung Physical Chemistry Nikolai-Fuchs-Str. 1, D-30625 Hannover Tel.: ++49-511-5350-528 E-mail: firstname.lastname@example.org Dr. Boris Belan Institute of Atmospheric Optics SB RAS Laboratory of Optical Weather 1, Akademicheskii Ave., 634055 Tomsk, Russia Tel.: (3822)258023 E-mail: email@example.com Fax: (3822)259086. Dr. Richard A. Cox Department of Chemistry University of Cambridge Lensfield road CB2 1EW Cambridge, UK Tel.: ++44 1223-336253 E-mail: firstname.lastname@example.org Fax: ++44 1223-336362 Dr. John Crowley Max-Planck-Institut für Chemie Division of Atmospheric Chemistry p. 25
Postfach 3060 D-55020 Mainz Tel: ++49 6131 305 474 E-Mail: Crowley@diane.mpch-mainz.mpg.de Fax: ++49 6131 305 436 Dr. Thorsten Hoffmann Institut für Spektrochemie und angewandte Spektroskopie (ISAS) Bunsen-Kirchhoff-Str. 11 D-44139 Dortmund, Germany tel.: ++49 231 13920 email: email@example.com fax: ++49 231 1392 120 Prof. Philippe Mirabel Centre de Geochimie de la Surface-CNRS Equipe de Physico-chimie de l= Atmosphere 28, rue Goethe F-67083 Strasbourg Cedex, France Tel.: 33 3 88 35 8268 email: firstname.lastname@example.org Tel.: 33 3 88 35 8484 Dr. Geert K. Moortgat Max-Planck-Institut für Chemie Division of Atmospheric Chemistry Postfach 3060 D-55020 Mainz, Germany Tel: ++49 6131 305 476 E-Mail: MOO@diane.mpch-mainz.mpg.de Fax: ++49 6131 305 436 Dr. Ulrich Pöschl Technische Universitaet Muenchen, Institut fuer Wasserchemie Marchioninistrasse 17 D-81377 Muenchen, Germany Tel.: ++49-89-70957996 E-mail: email@example.com Fax: ++49-89-70957999 Dr. Michel J. Rossi EPFL(Ecole Polytechnique Federale de Lausanne) LPAS Department of Rural Engineering CH-1015 Lausanne, Switzerland Tel.: 41 21 693 5321 email: firstname.lastname@example.org fax: 41 21 693 3626 Dr. Harald Saathoff p. 26
Institut für Meterologie und Klimaforschung (IMK) Atmophärische Aerosolforschung Postfach 3640 D-76021 Karlsruhe, Germany tel.: ++49 7247 82 2897 email: email@example.com fax: ++49 7247 82 4332 Dr. Rainer Vogt Ford Forschungszentrum Aachen GmbH Suesterfeldstr. 200 52072 Aachen Tel.: ++49 241 9421 204 e-mail: firstname.lastname@example.org Fax: ++49 241 9421 301 Dr. Andreas Wahner Forschungszentrum Jülich GmbH Institut für Atmosphärische Chemie (ICG-3) Leo Brandtstraße Tel.: 49 2461 61 5932 E-Mail: email@example.com FAX: 49 2461 61 5346 Dr. Peter Wiesen Bergische Universität - GH Wuppertal Physikalische Chemie / Fachbereich 9 Gaußstr. 20 D-42097 Wuppertal, Germany Phone: ++49 202 439 2515 Email: firstname.lastname@example.org Fax: ++49 202 439 2505 Prof. Reinhard Zellner Institut für Physikalische und Theoretische Chemie Universität-GH Essen D-45117 Essen, Germany Tel.: ++49 201 183 3073 e-mail: email@example.com fax: ++49 201 183 3228 MPM, Multi-Phase Modelling: Dr. Harald Geiger Bergische Universität GH Wuppertal FB9 - Physikalische Chemie Gaußstraße 20 D-42097 Wuppertal tel.: ++49 (0) 202-439-2515 e-mail: firstname.lastname@example.org p. 27
++49 (0) 202-439-2505
Prof. Dr. Hartmut Herrmann Institut für Troposphärenforschung Permoserstr. 15 D-04303 Leipzig Tel: ++49-(0) 201- 183 2446 E-Mail: email@example.com Fax: ++49-(0) 201- 183 2325 Dr. Frank Kirchner EPFL Lausanne DGR - LPAS CH-1015 Lausanne Tel.: ++41-21 6936138 e-mail: Frank.Kirchner@epfl.ch FAX: ++41-21 693 3626 Prof. Dirk Poppe Forschungszentrum Jülich GmbH Institut für Atmosphärische Chemie D-52428 Jülich tel.: ++49 (0) 2461-61 3864 e-mail: firstname.lastname@example.org fax: ++49 (0) 2461-61 5346 Dr. William R. Stockwell Associate Research Professor Energy and Environmental Engineering Center Desert Research Institute P.O. Box 60220 Reno, NV 89506, USA tel. 775-674-7058 e-mail: email@example.com fax 775-673-7397 Dr. Bernhard Vogel Forschungszentrum Karlsruhe/Universität Karlsruhe Institut für Meteorologie und Klimaforschung Postfach 3640 D-76021 Karlsruhe tel.: ++49 (0) 7247-824233 e-mail: firstname.lastname@example.org fax: ++49 (0) 7247-824742
Project Descriptions for the Individual Principal Investigators
(follow copies of individual proposals) p. 28