Atmospheric multiphase reaction chemistry : fundamentals of secondary aerosol formation /: fundamentals of secondary aerosol formation. (2020)

• Record Type: Book
• Further Information: Note: Hajime Akimoto, Jun Hirokawa.
• Authors: Akimoto, Hajime; Hirokawa, Jun
• Contents: Preface xiii 1 Historical Background of Atmospheric Secondary Aerosol Research 1 1.1 Introduction 1 1.2 Secondary Inorganic Aerosols 1 1.2.1 Sulfate 2 1.2.2 Nitrate 3 1.3 Secondary Organic Aerosols 4 1.3.1 Photochemical Smog 5 1.3.2 Blue Haze 6 References 7 2 Fundamentals of Multiphase Chemical Reactions 13 2.1 Introduction 13 2.2 Gas–Liquid Phase Equilibrium and Equilibrium in Liquid Phase 13 2.2.1 Fundamentals of Thermodynamics 14 2.2.1.1 Internal Energy and Enthalpy 14 2.2.1.2 Entropy 16 2.2.1.3 Gibbs Energy 18 2.2.1.4 Chemical Potential 19 2.2.2 Chemical Equilibrium and Equilibrium Constant 21 2.2.2.1 Chemical Equilibrium 21 2.2.2.2 Equilibrium Constant of Gas-Phase Reaction 22 2.2.2.3 Equilibrium Constant of Liquid-Phase Reaction 24 2.2.2.4 Temperature Dependence of Equilibrium Constant 26 2.2.3 Gas–Liquid Equilibrium and Henry’s Law Constant 29 2.2.4 Hydration of Carbonyl Compounds and Effective Henry’s Law Constant 31 2.2.5 pH and Equilibrium in the Aqueous Solution 32 2.2.5.1 Dissociation Equilibrium of Pure Water and pH 32 2.2.5.2 Ion Dissociation and Equilibrium in Aqueous Solution 33 2.3 Reactions in the Liquid Phase 35 2.3.1 Thermodynamics and Activity Coefficients of Nonideal Solutions 35 2.3.1.1 Salting-in, Salting-out 38 2.3.2 Chemical Kinetics of Aqueous-Phase Reaction 39 2.3.2.1 Diffusion Process and Chemical Reaction Kinetics 39 2.3.2.2 Transition State Theory of Solution Reaction and Thermodynamic Expression 42 2.3.3 Cage Effect and Aqueous-Phase Solvent Effect 46 2.3.3.1 Cage Effect 46 2.3.3.2 Solvent Effect in the Aqueous Phase 48 2.4 Uptake Coefficient and Resistance Model 51 2.4.1 Accommodation Coefficient and Uptake Coefficient 52 2.4.2 Resistance Model 54 2.5 Physical Chemistry of Interface Reaction 56 2.5.1 Langmuir-Hinshelwood Mechanism and Eley-Rideal Mechanism 56 2.5.2 Resistance Model Including Interface Reaction 59 2.5.3 Surface Tension of Air–Water Interface and Thermodynamics of Accommodation Coefficient 65 2.5.3.1 Surface Tension 65 2.5.3.2 Thermodynamics of Accommodation Coefficient at Air–Water Interface 68 2.6 Chemical Compositions and Physical Characters of Particles 71 2.6.1 Elemental and Molecular Composition of Particles 72 2.6.1.1 Inorganic Elements and Compounds 72 2.6.1.2 Organic Compounds 74 2.6.1.3 van Krevelen Diagram 77 2.6.2 Molecular Composition and Vapor Pressure 78 2.6.3 Gas-Particle Partitioning and Volatility Basis Set Model 84 2.6.3.1 Gas-Particle Partitioning and SOA Formation Yield 84 2.6.3.2 Volatility Basis Set Model 88 2.6.3.3 Gas-Aqueous Phase Partitioning of Hydrophilic Compounds 90 2.6.4 Phase State of Particles and Mass Transfer 93 References 95 3 Gas-Phase Reactions Related to Secondary Organic Aerosols 107 3.1 Introduction 107 3.2 Ozone Reactions 107 3.2.1 Properties and Reactions of Criegee Intermediates 108 3.2.1.1 Direct Detection of Criegee Intermediate and Molecular Structure 110 3.2.1.2 Formation of CH2 OO in Ozone-Ethene Reaction 115 3.2.1.3 Formation of syn- and anti-CH3 CHOO in Ozone-Alkene Reactions 118 3.2.2 Alkenes and Dialkenes 130 3.2.2.1 Ethene 130 3.2.2.2 > C3 Alkenes 132 3.2.2.3 1, 3-Butadiene 134 3.2.3 Isoprene 135 3.2.4 Cycloalkenes 139 3.2.4.1 Cyclohexene 139 3.2.4.2 1-Methylcyclohexene 141 3.2.4.3 Methylenecyclohexane 144 3.2.5 Monoterpenes 144 3.2.5.1 α-Pinene 145 3.2.5.2 β-Pinene 148 3.2.5.3 Limonene 150 3.2.6 Sesquiterpenes 155 3.3 OH Radical-Induced Oxidation Reactions 160 3.3.1 Alkanes 160 3.3.1.1 Reactions of Alkyl Peroxy Radicals 165 3.3.1.2 Reactions of Alkoxy Radicals 165 3.3.2 Alkynes 170 3.3.3 Alkenes, Dialkenes, and Cycloalkenes 171 3.3.3.1 Alkenes 171 3.3.3.2 1, 3-Butadiene 173 3.3.3.3 Cycloalkenes and Methylene cyclohexane 174 3.3.4 Isoprene 175 3.3.4.1 Fundamental Processes of OH-Induced Oxidation Reaction 175 3.3.4.2 HOx Radicals Regeneration Reaction 178 3.3.4.3 Formation of Isoprene Hydroxy Hydroperoxide (ISOPOOH) and Isoprene Epoxydiol (IEPOX) 179 3.3.4.4 Formation of Hydroxy Isoprene Nitrates 180 3.3.4.5 Reactions of Methyl Vinyl Ketone and Methacrolein 182 3.3.5 Monoterpenes 183 3.3.5.1 α-Pinene 183 3.3.5.2 β-Pinene 185 3.3.5.3 Limonene 187 3.3.6 Monocyclic Aromatic Hydrocarbons 189 3.3.6.1 Benzene 189 3.3.6.2 Toluene 192 3.3.7 Polycyclic Aromatic Hydrocarbons 195 3.3.7.1 Naphthalene 196 3.3.7.2 Other Polycyclic Aromatic Hydrocarbons 198 3.3.8 Carbonyl Compounds: OH Radical Reactions and Photolysis 199 3.3.8.1 Glyoxal 199 3.3.8.2 Methylglyoxal 202 3.3.8.3 Glycolaldehyde 204 3.3.8.4 Hydroxyacetone 207 3.4 NO3 Oxidation Reactions 209 3.4.1 Isoprene 209 3.4.2 Monoterpenes 213 3.4.2.1 α-Pinene 213 3.4.2.2 β-Pinene 214 3.4.2.3 Limonene 215 3.4.3 Monocyclic and Polycyclic Aromatic Hydrocarbons 217 3.4.3.1 Phenol, and Cresol 217 3.4.3.2 Naphthalene 218 3.4.3.3 Other Polycyclic Aromatic Hydrocarbons 219 References 219 4 Aqueous-Phase Reactions Related to Secondary Organic Aerosols 245 4.1 Introduction 245 4.2 OH Radical Reactions 246 4.2.1 UV Absorption Spectrum of OH Radicals in Aqueous Solution 246 4.2.2 Formation of OH Radicals in Cloud/Fog Droplets and Deliquescent Aerosols 248 4.2.3 Reaction Rate Constants of OH Radicals in the Aqueous Phase 254 4.2.4 Reactions of Formaldehyde and OH Radical Chain Reaction 257 4.2.5 OH Radical Reactions and Photolysis of ≥C2 Carbonyl Compounds 262 4.2.5.1 Glyoxal and Glyoxylic Acid 262 4.2.5.2 Methylglyoxal, Pyruvic Acid, and Acetic Acid 264 4.2.5.3 Glycolaldehyde and Glycolic Acid 267 4.2.5.4 Methacrolein and Methyl Vinyl Ketone 268 4.2.6 Oligomer Formation Reactions from ≥C2 Carbonyl Compounds 270 4.2.6.1 Glyoxal and Methylglyoxal 272 4.2.6.2 Methyl Vinyl Ketone and Methacrolein 273 4.3 Nonradical Reactions 275 4.3.1 Diels-Alder Reaction 276 4.3.2 Hemiacetal and Acetal Formation Reactions 277 4.3.2.1 Glyoxal 279 4.3.2.2 Methylglyoxal 280 4.3.2.3 1, 4-Hydroxycarbonyl Compounds 281 4.3.3 Aldol Reaction 281 4.3.3.1 Acetaldehyde 282 4.3.3.2 Methylglyoxal 283 4.3.3.3 Methyl Vinyl Ketone and Methacrolein 284 4.3.4 Esterification Reactions 285 4.4 Formation Reactions of Organic Sulfates 287 4.4.1 C2 and C3 Carbonyl Compounds 287 4.4.2 Monoterpenes 288 4.4.3 Isoprene 291 4.4.4 Monocyclic and Polycyclic Aromatic Hydrocarbons 291 4.5 Formation Reactions of Organic Nitrogen Compounds 292 4.5.1 Organic Nitrates 292 4.5.2 Imidazoles 293 References 295 5 Heterogeneous Oxidation Reactions at Organic Aerosol Surfaces 309 5.1 Introduction 309 5.2 Aging of Organic Aerosols in the Atmosphere 309 5.3 Reactions of Ozone 313 5.3.1 Oleic Acid and Unsaturated Long-Chain Carboxylic Acids 314 5.3.2 Squa
• Edition: 1st
• Publisher Details: Chichester : Wiley Blackwell
• Publication Date: 2020
• Extent: 1 online resource
• Subjects: 551.5113; Atmospheric aerosols
• Languages: English
• ISBNs: 9781119422402; 9781119422396
• Related ISBNs: 9781119422426
• Notes: Note: Description based on CIP data; resource not viewed.
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