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Author: Wei Lin
Publisher:
ISBN: 9781321059878
Category :
Languages : en
Pages : 202
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Book Description
Aerosols are tiny particles suspended in the atmosphere, which can directly be generated by biogenic and anthropogenic processes or be formed through nucleation of gas-phase species. Aerosols influence the chemical composition of the atmosphere, and have both direct and indirect effects on the Earth's radiative balance. These processes have major implications for climate, ecosystems, and public health. In this dissertation, we first discuss computational studies aimed at providing fundamental insights into the molecular mechanisms of aerosol nucleation through the characterization of structural, thermodynamic, and spectroscopic properties of important nucleation species, with a particular focus on HCl(H2O)n and HSO4−(HO2C(CH2)2CO2H)n binary systems. We then describe the development and application of molecular models for characterizing proton transfer and transport in water and ice. In particular, we use computer simulations with our improved multistate empirical valence bond models to characterize the mechanisms responsible for proton mobility in ice Ih as well as on the surface of both ice Ih and amorphous ice. Based on our simulation results, we thus develop a unified picture of proton transfer and transport in and on ice. The last part of this dissertation focuses on the properties of sea spray particles, which represent one of the most important components of biogenic aerosols. Field measurements have demonstrated that sea-spray particles contain a large fraction of organic material, which correlates with the extent of biological activity at the surface microlayer of the ocean. In this context, we perform molecular dynamics simulations to characterize the properties of model sea-spray aerosol surfaces. Specifically, we study the phase behavior and structural properties of three Langmuir monolayers (palmitic acid, dipalmitoyl phosphatidic acid, and Lipid-A) at the air/water interface. Through a detailed analysis of the molecular dynamics trajectories, direct connections between order/disorder transitions of the Langmuir monolayers and water structure/dynamics are determined as a function of surface pressure and structural complexity of the monolayers. Our results provide key molecular-level insights into the physical behavior of organic material at aqueous interfaces which can help understand the reactivity and nucleation properties of sea-spray aerosols.
Author: Wei Lin
Publisher:
ISBN: 9781321059878
Category :
Languages : en
Pages : 202
Get Book Here
Book Description
Aerosols are tiny particles suspended in the atmosphere, which can directly be generated by biogenic and anthropogenic processes or be formed through nucleation of gas-phase species. Aerosols influence the chemical composition of the atmosphere, and have both direct and indirect effects on the Earth's radiative balance. These processes have major implications for climate, ecosystems, and public health. In this dissertation, we first discuss computational studies aimed at providing fundamental insights into the molecular mechanisms of aerosol nucleation through the characterization of structural, thermodynamic, and spectroscopic properties of important nucleation species, with a particular focus on HCl(H2O)n and HSO4−(HO2C(CH2)2CO2H)n binary systems. We then describe the development and application of molecular models for characterizing proton transfer and transport in water and ice. In particular, we use computer simulations with our improved multistate empirical valence bond models to characterize the mechanisms responsible for proton mobility in ice Ih as well as on the surface of both ice Ih and amorphous ice. Based on our simulation results, we thus develop a unified picture of proton transfer and transport in and on ice. The last part of this dissertation focuses on the properties of sea spray particles, which represent one of the most important components of biogenic aerosols. Field measurements have demonstrated that sea-spray particles contain a large fraction of organic material, which correlates with the extent of biological activity at the surface microlayer of the ocean. In this context, we perform molecular dynamics simulations to characterize the properties of model sea-spray aerosol surfaces. Specifically, we study the phase behavior and structural properties of three Langmuir monolayers (palmitic acid, dipalmitoyl phosphatidic acid, and Lipid-A) at the air/water interface. Through a detailed analysis of the molecular dynamics trajectories, direct connections between order/disorder transitions of the Langmuir monolayers and water structure/dynamics are determined as a function of surface pressure and structural complexity of the monolayers. Our results provide key molecular-level insights into the physical behavior of organic material at aqueous interfaces which can help understand the reactivity and nucleation properties of sea-spray aerosols.
Author: Guy P. Brasseur
Publisher: Cambridge University Press
ISBN: 1108210953
Category : Science
Languages : en
Pages : 631
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Book Description
Mathematical modeling of atmospheric composition is a formidable scientific and computational challenge. This comprehensive presentation of the modeling methods used in atmospheric chemistry focuses on both theory and practice, from the fundamental principles behind models, through to their applications in interpreting observations. An encyclopaedic coverage of methods used in atmospheric modeling, including their advantages and disadvantages, makes this a one-stop resource with a large scope. Particular emphasis is given to the mathematical formulation of chemical, radiative, and aerosol processes; advection and turbulent transport; emission and deposition processes; as well as major chapters on model evaluation and inverse modeling. The modeling of atmospheric chemistry is an intrinsically interdisciplinary endeavour, bringing together meteorology, radiative transfer, physical chemistry and biogeochemistry, making the book of value to a broad readership. Introductory chapters and a review of the relevant mathematics make this book instantly accessible to graduate students and researchers in the atmospheric sciences.
Author: Kalliat T Valsaraj
Publisher: American Chemical Society
ISBN:
Category : Science
Languages : en
Pages : 220
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Book Description
This book describes the characteristics of atmospheric aerosols, the chemistry of aerosols, and the interplay between aerosol modeling and global climate changes. This book helps to understand nature of aerosols and their role in the atmosphere.
Author: Josip Lovrić
Publisher:
ISBN:
Category :
Languages : en
Pages : 0
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Book Description
In this thesis numerical methods are used to study the properties, described at the molecular level, of organic aerosols, especially marine aerosols, and their interaction with species in the atmosphere. The organisation of the organic matter in these aerosols plays a key role for their optical, chemical properties, and their ability to act as a cloud condensation nuclei.The first part reviews atmospheric context and the methods (classical molecular dynamics and hybrid quantum/classical approaches) used in this thesis. Then applications to three cases are detailed.Firstly, the organization, more particularly the orientation, of palmitic acid molecules adsorbed on a salt (NaCl) surface as a function of the fatty acid coverage and temperature has been studied using classical molecular dynamics (Gromacs package). The impact of the humidity on the structuration of this organic coating has been described in details, showing the existence of structured fatty acid island-like monolayers on NaCl surface.In a second study, the reactivity of NO2 with these heterogeneous marine aerosols has been investigated by a hybrid quantum/classical method (CP2K package), with taking into account the effect of the humidity.The last study is a classical molecular dynamics of n-butanol crystal, water accommodation at these surfaces and simulation of water jet collision with n-butanol surface. These simulations, complementary to experiments, were performed to better understand the fundamental role of the water-organic matter interaction on the properties of the aerosols and clouds.
Author: Claudio Tomasi
Publisher: John Wiley & Sons
ISBN: 3527336451
Category : Science
Languages : en
Pages : 706
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Book Description
Ein Blick auf die morphologischen, physikalischen und chemischen Eigenschaften von Aerosolen aus den unterschiedlichsten natürlichen und anthropogenen Quellen trägt zum besseren Verständnis der Rolle bei, die Aerosolpartikel bei der Streuung und Absorption kurz- und langwelliger Strahlung spielen. Dieses Fachbuch bietet Informationen, die sonst schwer zu finden sind, und vermittelt ausführlich die Kenntnisse, die erforderlich sind, um die mikrophysikalischen, chemischen und Strahlungsparameter zu charakterisieren, die bei der Wechselwirkung von Sonnen- und Erdstrahlen so überaus wichtig sind. Besonderes Augenmerk liegt auf den indirekten Auswirkungen von Aerosolen auf das Klima im Rahmen des komplexen Systems aus Aerosolen, Wolken und der Atmosphäre. Auch geht es vorrangig um die Wirkungen natürlicher und anthropogener Aerosole auf die Luftqualität und die Umwelt, auf die menschliche Gesundheit und unser kulturelles Erbe. Mit einem durchgängig lösungsorientierten Ansatz werden nicht nur die Probleme und Gefahren dieser Aerosole behandelt, sondern auch praktikable Lösungswege aufgezeigt.
Author: Colin D. O'Dowd
Publisher: Springer Science & Business Media
ISBN: 1402064748
Category : Science
Languages : en
Pages : 1275
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Book Description
Atmospheric particles are ubiquitous in the atmosphere: they form the seeds for cloud droplets and they form haze layers, blocking out incoming radiation and contributing to a partial cooling of our climate. They also contribute to poor air quality and health impacts. A large fraction of aerosols are formed from nucleation processes – that is a phase transition from vapour to liquid or solid particles. Examples are the formation of stable clusters about 1 nm in size from molecular collisions and these in turn can grow into larger (100 nm or more) haze particles via condensation to the formation of ice crystals in mixed phase or cold clouds. This book brings together the leading experts from the nucleation and atmospheric aerosols research communities to present the current state-of-the-art knowledge in these related fields. Topics covered are: Nucleation Experiment & Theory, Binary, Homogeneous and Heterogeneous Nucleation, Ion & Cluster Properties During Nucleation, Aerosol Characterisation & Properties, Aerosol Formation, Dynamics and Growth, Marine Aerosol Production, Aerosol-Cloud Interactions, Chemical Composition & Cloud Drop Activation, Remote Sensing of aerosol & clouds and Air Quality-Climate Interactions
Author: Kirill Ya. Kondratyev
Publisher: Springer Science & Business Media
ISBN: 3540376984
Category : Science
Languages : en
Pages : 595
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Book Description
This book provides the first comprehensive analysis of how aerosols form in the atmosphere through in situ processes as well as via transport from the surface (dust storms, seas spray, biogenic emissions, forest fires etc.). Such an analysis has been followed by the consideration of both observation data (various field observational experiments) and numerical modeling results to assess climate impacts of aerosols bearing in mind that these impacts are the most significant uncertainty in studying natural and anthropogenic causes of climate change.
Author: David L. Topping
Publisher: John Wiley & Sons
ISBN: 1119625718
Category : Science
Languages : en
Pages : 372
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Book Description
INTRODUCTION TO AEROSOL MODELLING Introduction to Aerosol Modelling: From Theory to Code An aerosol particle is defined as a solid or liquid particle suspended in a carrier gas. Whilst we often treat scientific challenges in a siloed way, aerosol particles are of interest across many disciplines. For example, atmospheric aerosol particles are key determinants of air quality and climate change. Knowledge of aerosol physics and generation mechanisms is key to efficient fuel delivery and drug delivery to the lungs. Likewise, various manufacturing processes require optimal generation, delivery and removal of aerosol particles in a range of conditions. There is a natural tendency for the aerosol scientist to therefore work at the interface of the traditional academic subjects of physics, chemistry, biology, mathematics and computing. The impacts that aerosol particles have are linked to their evolving chemical and physical characteristics. Likewise, the chemical and physical characteristic of aerosol particles reflect their sources and subsequent processes they have been subject to. Computational models are not only essential for constructing evidence-based understanding of important aerosol processes, but also to predict change and impact. Whilst existing textbooks provide an overview of theoretical frameworks on which aerosol models are based, there is a significant gap in reference material that provide training in translating theory into code. The purpose of this book is to provide readers with exactly that. In following the content provided in this book, you will be able to reproduce models of key processes that can either be used in isolation or brought together to construct a demonstrator 0D box-model of a coupled gaseous-particulate system. You may be reading this book as an undergraduate, postgraduate, seasoned researcher in the private/public sector or as someone who wishes to better understand the pathways to aerosol model development. Wherever you position yourself, it is hoped that the tools you will learn through this book will provide you with the basis to develop your own platforms and to ensure the next generation of aerosol modellers are equipped with foundational skills to address future challenges in aerosol science.
Author: Guy P. Brasseur
Publisher: Cambridge University Press
ISBN: 1108210953
Category : Science
Languages : en
Pages : 631
Get Book Here
Book Description
Mathematical modeling of atmospheric composition is a formidable scientific and computational challenge. This comprehensive presentation of the modeling methods used in atmospheric chemistry focuses on both theory and practice, from the fundamental principles behind models, through to their applications in interpreting observations. An encyclopaedic coverage of methods used in atmospheric modeling, including their advantages and disadvantages, makes this a one-stop resource with a large scope. Particular emphasis is given to the mathematical formulation of chemical, radiative, and aerosol processes; advection and turbulent transport; emission and deposition processes; as well as major chapters on model evaluation and inverse modeling. The modeling of atmospheric chemistry is an intrinsically interdisciplinary endeavour, bringing together meteorology, radiative transfer, physical chemistry and biogeochemistry, making the book of value to a broad readership. Introductory chapters and a review of the relevant mathematics make this book instantly accessible to graduate students and researchers in the atmospheric sciences.
Author: Hayder Abdul-Razzak
Publisher: BoD – Books on Demand
ISBN: 9535107283
Category : Science
Languages : en
Pages : 494
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Book Description
The book is divided into two sections. The first section presents characterization of atmospheric aerosols and their impact on regional climate from East Asia to the Pacific. Ground-based, air-born, and satellite data were collected and analyzed. Detailed information about measurement techniques and atmospheric conditions were provided as well. In the second section, authors provide detailed information about the organic and inorganic constituents of atmospheric aerosols. They discuss the chemical and physical processes, temporal and spatial distribution, emissions, formation, and transportation of aerosol particles. In addition, new measurement techniques are introduced. This book hopes to serve as a useful resource to resolve some of the issues associated with the complex nature of the interaction between atmospheric aerosols and climatology.
