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Simulation and Assessment of Chemical Processes in a Multiphase Environment
(Englisch)
Application to Atmospheric Chemical Processes, NATO Science for Peace and Security Series C: Environmental Security
Kharytonov, Mykola M. & Barnes, Ian

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Simulation and Assessment of Chemical Processes in a Multiphase Environment

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Proceedings of the NATO Advanced Research Workshop on Simulation and Assessment of Chemical Processes in a Multiphase EnvironmentAlushta, Ukraine1 September 2007|

Contains state-of-knowledge on gas phase, aqueous phase and soil environmental chemistry

Contains state-of-knowledge on the simulation of atmospheric processes in all 3 environmental media

Contains examples of the simulation of experimental and real world chemical processes


The book reviews the current state of knowledge on the chemical and physical processes occurring in the environmental media (i) the atmosphere, (ii) the aqueous phase and (iii) soil and identifies the strengths and weaknesses of the chemical mechanisms (both explicit and condensed) currently available to simulate the multimedia environmental chemistry of volatile organic compounds (VOCs) and particulate matter in these media. Contributions examine how well this knowledge has been incorporated into different types of CT models and appraise the current status and significant issues in the development and usage of the models. Model simulations of some real world chemical perturbations to the Earth system are presented which appraise the performance of the models in relation to "real world" observations. Serious caveats in our understanding of chemical processes and their simulation in the various compartments of the Earth system are highlighted and areas are identified that need urgent improvement, in particular with respect to environmental security.


Preface. Acknowledgements. Our Present Understanding of the Gas-Phase Atmospheric Degradation of VOCS; R. Atkinson.- New Atmospheric Sources of Radicals: A Challenge for the Modelers; K. H. Becker.- Theoretical Determinations of Reaction Parameters for Atmospheric Chemical Reactions; A. Gross, S. Jørgensen. Overview of SAR Methods to Predict Gas Phase Rate Coefficients; C. Percival, M. McGillen. Overview of the EUROCHAMP Database of European Atmosphere Simulation Chambers; A. Muñoz, E. Gomez Alvarez.- The EUROCHAMP Chamber Experiment Database: Goals and Uses. Present and Future Potential Benefits; E. Gomez Alvarez et al.Simulating Atmospheric Gas Phase Chemistry: Uncertainties And Mechanism Reduction Problems; M. J. Pilling. Comparisons of Atmospheric Chemical Mechanisms for Regulatory and Research Studies; D. Luecken.CAPRAM Modeling of Aqueous Aerosol and Cloud Chemistry; A. Tilgne et al. The reaction between Malonic Acid and the Nitrate Radical as an Example for Compound Processing in Clouds; Ch. George, Ph. Gaillard de Semainville.-Composition and Chemistry of Tropospheric Secondary Organic Aerosols: State of the Art; P. Ziemann. Global Modeling of Secondary Organic Aerosol Formation: Knowledge and Challenges; M. Kanakidou et al. Simulating Indoor Atmospheres: Development of an Explicit Chemical Mechanism; N. Carsiaw. Sounding the Troposphere from Space: A New Era for Global Atmospheric Chemistry; A. Kokhanovsky et al. How reliable are emission inventories? Field Observations versus Emission PREDICTIONS; A. Niedojadlo. Analytical Innovations: Development and Application of Atmospheric Pressure LASER IONISATION (APLI); K. Brockmann et al.- Undiscovered Chemistry — Is It Important for Mechanisms and Models?; K. J. Rudzinski. Overview of POPs in the Environment: Modeling their Distribution and Spread; K. M. Hansen et al.- Fate and Transport of Chemical Contaminants in soil: A General Introduction; A. Worsztynowicz et al.- PhytoremediationTechnologies Used to Reduce Environmental Threat Posed by Metal-contaminated Soils: Theory and Reality; A. Sas-Nowosielska et al.- The Problems of Modeling the Behaviour of Chemicals in a Soil Environment; L. Sadovnikova, V. Butin.- Environment Pollution Risk Assessment in Ukraine; G.I. Rudko.-Deillegalscription of the Meteorological Impacts on the Urban Air Pollution Species by the fuzzy logic Approach: A Hong Kong Case Study; 0. Pokrovsky, R.H.F. Kwok.- Air Pollution Modeling of Technogenic Catastrophes caused by Terrorist Attacks on Rail Transport of Chemical Substances; M. Belyaev.- The Gas-Dynamic Parameters Modeling of the Opencast Atmosphere; A. V. Zberovsky, B.I. Sobko.- Integrated Modelling of Surface and Tropospheric Ozone for Kiev City; A. V. Shavrina et al.- Model Estimations of the Effects of Siberian Strong Fires on Atmospheric Composition and Regional Climate During 2002-2003 Warm Periods; A.A. Kiselev, I.L. Karol.- The Influence of Motor-car Exhaust on Content of Non-Structural Carbohydrates in Stem Apices, Floral Meristems and Apical Buds of Tagetes patula L. and Calendula officinales L.; V. P. Bessonova, 0. P. Priymak.- Problems of Environment Protection from Emissions of Mine Methane; V. A. Boyko.- Social, Medical and Environmental Consequences of Mining and Metallurgical Complex Activity in the Krivorozhsky Region and Decision Making; M. Karnaukh, S.Lugovskoy.- Air Pollution Assessment Related with Large Industrial City Activities; M. M. Kharytonov et al.- The Rise of Human Genom Stability under Conditions of Anthropogenic Transformation of the Environment; A.I. Gorovaya et al.- Simulation of Emission Dispersion as the Method of Air Quality Management; Z. Comarova, S.Mangul.- Some Natural Chemical Antioxidants: Functions and Genetic Effects; I.B. Mosse, P.M. Marozik.- Evaluation of the Health Status of Populations Affected by the Chernobyl Accident; P.M. Marozik et al.- Weather Forecast Management to Decrease Pesticides Load for Ecosystems in Moldova;


Our Present Understanding of the Gas-Phase Atmospheric Degradation of Vocs.- New Atmospheric Sources Of Radicals: A Challenge For Modelers.- Theoretical Determinations Of Reaction Parameters For Atmospheric Chemical Reactions.- Overview Of Structure-Activity Relationship Methods For Predicting Gas-Phase Rate Coefficients.- Overview Of The Eurochamp Database Of European Atmosphere Simulation Chambers.- The Eurochamp Chamber Experiment Database: Goals And Uses. Present And Future Potential Benefits.- Simulating Atmospheric Gas Phase Chemistry: Uncertainties And Mechanism Reduction Problems.- Comparison Of Atmospheric Chemical Mechanisms For Regulatory And Research Applications.- Capram Modeling Of Aqueous Aerosol And Cloud Chemistry.- The Reaction Between Malonic Acid And The Nitrate Radical As An Example For Compound Processing In Clouds.- Composition And Chemistry Of Tropospheric Secondary Organic Aerosols: State Of The Art.- Global Modelling Of Secondary Organic Aerosol (Soa) Formation: Knowledge And Challenges.- Simulating Indoor Atmospheres: Development Of An Explicit Chemical Mechanism.- Sounding The Troposphere From Space: A New Era For Global Atmospheric Chemistry.- How Reliable Are Emission Inventories?Field Observations Versus Emission Predictions For Nmvocs.- Analytical Innovations: Development And Applications Of Atmospheric Pressure Laser Ionization (Apli).- Undiscovered Chemistry - Is It Important For Mechanisms And Models?.- Overview Of Pops In The Environment: Modeling Their Distribution And Spread.- Fate And Transport Of Chemical Contaminants In Soil: A General Introduction.- Phytoremediation Technologies Used To Reduce Environmental Threat Posed By Metal-Contaminated Soils: Theory And Reality.- The Problems Of Modeling The Behaviour Of Chemicals In ASoil Environment.- Environment Pollution Risk Assessment In Ukraine.- Deillegalscription Of The Meteorological Impacts On The Urban Air Pollution Species By The Fuzzy Logic Approach: A Hong Kong Case Study.- Air Pollution Modelling Of Technogenic Catastrophes Caused By Terrorist Attacks On Rail Transport Of Chemical Substances.- The Gas-Dynamic Parameters Modelling Of The Opencast Atmosphere.- Integrated Modeling Of Surface And Tropospheric Ozone For Kiev City.- Model Estimations Of The Effect Of Siberian Strong Fires On Atmospheric Composition And Regional Climate During 2002-2003 Warm Periods.- The Influence Of Motor-Car Exhaust On The Content Of Non-Structural Carbohydrates In Stem Apices, Floral Meristems And Apical Buds Of Tagetes Patula L. And Calendula Officinales L..- Problems Of Environment Protection From Emissions Of Mine Methane.- Social, Medical And Environmental Consequences Of Mining And Metallurgical Complex Activity In The Krivorozhsky Region And Decision Making.- Air Pollution Assessment Related With Large Industrial City Activities.- The Rise Of Human Genom Stability Under Conditions Of Anthropogenic Transformation Of The Environment.- Simulation Of Emission Dispersion As The Method Of Air Quality Management.- Some Natural Chemical Antioxidants: Functions And Genetic Effects.- Evaluation Of Health Status Of Populations Affected By The Chernobyl Accident.- Weather Forecast Management To Decrease The Pesticide Load For Ecosystems In Moldova.- On Climate, Desertification And Water Pollution Problems For The Territory Of Georgia.- Air Pollution In The Republic Of Moldova: Current Status And Future Prospects.- Methyl Methacrylate In The Atmosphere: Oh- And Cl-Initiated Oxidation In The Gas Phase.- Vacuum-Enhanced Recovery Project At The Site Of Former MilitaryAirbase Rumbula In Riga, Latvia.- Ft-Ir Product Study On The Oh Radical Initiated Oxidation Of Dimethyl Sulfide: Temperature And O2 Partial Pressure Dependence.- Emissions Of Non-Methane Hydrocarbon Compounds (Nmhc) From Vehicular Traffic In Europe.- Exploratory Studies On Secondary Organic Aerosol Formation In The Ozonolysis Of Alkyl Vinyl Ethers.

Inhaltsverzeichnis



Our Present Understanding of the Gas-Phase Atmospheric Degradation of Vocs.- New Atmospheric Sources Of Radicals: A Challenge For Modelers.- Theoretical Determinations Of Reaction Parameters For Atmospheric Chemical Reactions.- Overview Of Structure-Activity Relationship Methods For Predicting Gas-Phase Rate Coefficients.- Overview Of The Eurochamp Database Of European Atmosphere Simulation Chambers.- The Eurochamp Chamber Experiment Database: Goals And Uses. Present And Future Potential Benefits.- Simulating Atmospheric Gas Phase Chemistry: Uncertainties And Mechanism Reduction Problems.- Comparison Of Atmospheric Chemical Mechanisms For Regulatory And Research Applications.- Capram Modeling Of Aqueous Aerosol And Cloud Chemistry.- The Reaction Between Malonic Acid And The Nitrate Radical As An Example For Compound Processing In Clouds.- Composition And Chemistry Of Tropospheric Secondary Organic Aerosols: State Of The Art.- Global Modelling Of Secondary Organic Aerosol (Soa) Formation: Knowledge And Challenges.- Simulating Indoor Atmospheres: Development Of An Explicit Chemical Mechanism.- Sounding The Troposphere From Space: A New Era For Global Atmospheric Chemistry.- How Reliable Are Emission Inventories?Field Observations Versus Emission Predictions For Nmvocs.- Analytical Innovations: Development And Applications Of Atmospheric Pressure Laser Ionization (Apli).- Undiscovered Chemistry - Is It Important For Mechanisms And Models?.- Overview Of Pops In The Environment: Modeling Their Distribution And Spread.- Fate And Transport Of Chemical Contaminants In Soil: A General Introduction.- Phytoremediation Technologies Used To Reduce Environmental Threat Posed By Metal-Contaminated Soils: Theory And Reality.- The Problems Of Modeling The Behaviour Of Chemicals In ASoil Environment.- Environment Pollution Risk Assessment In Ukraine.- Deillegalscription Of The Meteorological Impacts On The Urban Air Pollution Species By The Fuzzy Logic Approach: A Hong Kong Case Study.- Air Pollution Modelling Of Technogenic Catastrophes Caused By Terrorist Attacks On Rail Transport Of Chemical Substances.- The Gas-Dynamic Parameters Modelling Of The Opencast Atmosphere.- Integrated Modeling Of Surface And Tropospheric Ozone For Kiev City.- Model Estimations Of The Effect Of Siberian Strong Fires On Atmospheric Composition And Regional Climate During 2002-2003 Warm Periods.- The Influence Of Motor-Car Exhaust On The Content Of Non-Structural Carbohydrates In Stem Apices, Floral Meristems And Apical Buds Of Tagetes Patula L. And Calendula Officinales L..- Problems Of Environment Protection From Emissions Of Mine Methane.- Social, Medical And Environmental Consequences Of Mining And Metallurgical Complex Activity In The Krivorozhsky Region And Decision Making.- Air Pollution Assessment Related With Large Industrial City Activities.- The Rise Of Human Genom Stability Under Conditions Of Anthropogenic Transformation Of The Environment.- Simulation Of Emission Dispersion As The Method Of Air Quality Management.- Some Natural Chemical Antioxidants: Functions And Genetic Effects.- Evaluation Of Health Status Of Populations Affected By The Chernobyl Accident.- Weather Forecast Management To Decrease The Pesticide Load For Ecosystems In Moldova.- On Climate, Desertification And Water Pollution Problems For The Territory Of Georgia.- Air Pollution In The Republic Of Moldova: Current Status And Future Prospects.- Methyl Methacrylate In The Atmosphere: Oh- And Cl-Initiated Oxidation In The Gas Phase.- Vacuum-Enhanced Recovery Project At The Site Of Former MilitaryAirbase Rumbula In Riga, Latvia.- Ft-Ir Product Study On The Oh Radical Initiated Oxidation Of Dimethyl Sulfide: Temperature And O2 Partial Pressure Dependence.- Emissions Of Non-Methane Hydrocarbon Compounds (Nmhc) From Vehicular Traffic In Europe.- Exploratory Studies On Secondary Organic Aerosol Formation In The Ozonolysis Of Alkyl Vinyl Ethers.


Klappentext

The book reviews the current state of knowledge on the chemical and physical processes occurring in the environmental media (i) the atmosphere, (ii) the aqueous phase and (iii) soil and identifies the strengths and weaknesses of the chemical mechanisms (both explicit and condensed) currently available to simulate the multimedia environmental chemistry of volatile organic compounds (VOCs) and particulate matter in these media. Contributions examine how well this knowledge has been incorporated into different types of CT models and appraise the current status and significant issues in the development and usage of the models. Model simulations of some real world chemical perturbations to the Earth system are presented which appraise the performance of the models in relation to "real world" observations. Serious caveats in our understanding of chemical processes and their simulation in the various compartments of the Earth system are highlighted and areas are identified that need urgent improvement, in particular with respect to environmental security.




Contains state-of-knowledge on gas phase, aqueous phase and soil environmental chemistry

Contains state-of-knowledge on the simulation of atmospheric processes in all 3 environmental media

Contains examples of the simulation of experimental and real world chemical processes

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