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Elsevier

Books in Physical and theoretical chemistry

Our portfolio covers quantum chemistry, molecular dynamics, spectroscopy, and thermodynamics. Featuring state-of-the-art theoretical models and experimental techniques, these resources support researchers and students in understanding molecular behavior and predicting chemical phenomena. Emphasizing computational advances and interdisciplinary insights, the titles address fundamental questions and innovative applications in energy, materials, and nanotechnology.

  • Mechanical Processes in Solid-Phase Transformations

    The Role of Stresses and Relaxation Processes in the Kinetics of Polymorphic Transformations and Chemical Reactions
    • 1st Edition
    • Stanislav A. Chizhik + 2 more
    • English
    Mechanical Processes in Solid-Phase Transformations: The Role of Stresses and Relaxation Processes in the Kinetics of Polymorphic Transformations and Chemical Reactions provides a systematic treatment of the role of mechanical feedback through several different real-world examples covering the major types of solid-state transformations. It provides a novel, comprehensive and in-depth analysis of the role of mechanical stresses and relaxation processes induced by solid-state chemical reactions. This topic has previously been addressed in a very fragmented manner, with a primary focus on superficial phenomenological levels and qualitative conclusions.The chapters feature experimental results and quantitative models of the kinetics of various types of solid-state transformations (polymorphic phase transitions, topochemical reactions, photochemical reactions in crystals) accompanied by stress, plastic deformation, fracture, and macroscopic changes in the shape of crystals. Clear examples are given of controlling transformation kinetics and product morphology by influencing mechanical properties and conditions. Mechanical Processes in Solid-Phase Transformations will help to improve understanding in the growing field of solid-state mechanochemical transformations and polymorph control.It is written for academics both in research and advanced graduate/postdoc level teaching, as well as their students, who are interested in solid-state chemistry, materials science, solid-state physics, or applications of solid-state reactivity to industry. It will also be relevant to this in the areas of nanotechnology, chemical engineering, catalysis and also pharmaceutical technologies.

  • Elementary Kinetic Modelling in Catalytic Reaction Engineering

    • 1st Edition
    • Joris W. Thybaut + 5 more
    • English
    Elementary Kinetic Modelling in Catalytic Reaction Engineering is a practical focused text that brings together the relevant basics for reaction engineering and shows their applications to a wide variety of examples, whilst looking at the intrinsic kinetics data acquisition, reaction mechanism elucidation, elementary step-based modelling and model-based design and optimization involved.The book aims at spanning the entire process from acquisition of the relevant data in dedicated experimental set-ups, over the proper treatment of the data and the corresponding interpretation up to the quantification of the gained understanding in a model. The latter aspect allows the reader to challenge the interpretation made of the data and design subsequent experiments or improve the interpretation/model formulation. The coverage is not just limited to the generic (theoretical) principles but will also carefully consider and explain their application to a variety of real-life applications including gas- and liquid-phase reactions, heterogeneously catalyzed reactions involving adsorption either in the Henry regime or at full saturation of the catalyst or combined homogeneous-heteroge... reactions.Elementary Kinetic Modelling in Catalytic Reaction Engineering is written primarily for graduate students and postdoc researchers in chemical engineering or applied industrial chemistry studying chemical reaction engineering and catalysis, as well as physical chemists studying kinetics.

  • Physical Chemistry at the Intersection of Combustion and Atmospheric Sciences

    • 1st Edition
    • Brandon Rotavera
    • English
    Physical Chemistry at the Intersection of Combustion and Atmospheric Sciences provides the first detailed exploration of overlapping scientific problems in physical chemistry within the domains of combustion and atmospheric chemistry. Specific problems addressed in this book include detailing the current state of knowledge and future research needs on topics, such as the role of organic hydroperoxide reactivity in both atmospheric chemistry and combustion, the importance of peroxy radicals produced in biofuel and hydrocarbon combustion that control chain-branching, and in tropospheric chemistry, affect OH-budgeting and the formation of aerosols that impact air quality.Significant attention is also paid to the influence of functional groups on combustion reaction mechanisms as well as downstream effects on gas-phase chemical reactions in atmosphere. Specifically, problems connecting gas-phase reactions of functionalized organic molecules present in combustion emissions to secondary organic aerosol (SOA) formation are addressed. In addition, remaining challenges in understanding the subsequent physical and chemical processes involving SOA will be addressed. It is written primarily for research staff scientists, R&D personnel (laboratory and industry), graduate students, and professors in the fields of physical chemistry, atmospheric science, and chemical engineering.

  • Hydrophilic-Lipophilic Deviation in Formulation Science and Technology

    Principles, Methods, and Applications of HLD
    • 1st Edition
    • Jean-Louis Salager + 2 more
    • English
    Hydrophilic-Lipophil... Deviation in Formulation Science and Technology: Principles, Methods, and Applications of HLD offers an in-depth examination of the Hydrophilic-Lipophil... Deviation (HLD) concept as a foundational, quantifiable optimization tool in the formulation science of surfactant, oil, and water systems. It brings together contributions from leading experts to cover the historical development of formulation concepts in the past hundred years, from the Bancroft rule, Winsor R, Beerbover CER, Israelachvili intermolecular packing, Griffin HLB and Shinoda PIT through to the advanced HLD multivariable framework, as a way to select an appropriate multi surrogate expression. It provides a deep dive into critical topics such as surfactant and oil characterization, macro-/micro-/nano-e... formulation and properties, particularly interfacial rheology. It also deals with practical applications such as detergency, enhanced oil recovery (EOR), demulsification, asphaltic emulsions, food processing and distribution, cosmetics and medical preparations, and other consumer or industrial products. Each chapter combines theoretical foundations with practical insights, including mistakes and confusions, supported by case studies and recent research findings. The structured approach facilitates a comprehensive understanding the meaning of HLD and its impact on formulation science in various sectors including academia and industry.This book will address the challenges faced by practitioners in designing and optimizing formulations, ultimately enhancing product performance in interfacial tension, solubilization, time stability and fluid properties. Hydrophilic-Lipophil... Deviation in Formulation Science and Technology: Principles, Methods, and Applications of HLD is written primarily for advanced researchers, scientists, and engineers specializing in formulation science, colloid and interface science, surfactant chemistry, and chemical engineering.

  • Cosmetic Science and Technology

    Theoretical Principles and Applications
    • 2nd Edition
    • Kazutami Sakamoto + 4 more
    • English
    Cosmetic Science and Technology: Theoretical Principles and Applications, Second Edition covers the fundamental aspects of cosmetic science that are necessary to understand material development, formulation, and the dermatological effects that result from the use of these products.The book fulfils this role by offering a comprehensive view of cosmetic science and technology, including environmental and dermatological concerns. As the cosmetics field quickly applies cutting-edge research to high value commercial products that have a large impact in our lives and on the world's economy, this book is an indispensable source of information that is ideal for experienced researchers and scientists, as well as non-scientists who want to learn more about this topic on an introductory level.The second edition features much greater emphasis on the sustainable development goals which have now become so central to the cosmetics industry and society more generally, linked to critical environmental and safety concerns which are also increasingly central to the field. This book will appeal to chemical engineers, chemists, physical chemists and cosmetic chemists in cosmetics research and development, as well as dermatologists and toxicologists.

  • Electroluminescence in Inorganic and Organic Materials

    Fundamentals to Applications
    • 1st Edition
    • Sanjay J. Dhoble + 4 more
    • English
    Electroluminescence in Inorganic and Organic Materials: Fundamentals to Applications provides a comprehensive exploration of electroluminescence, from its fundamental principles to the latest advances in organic and inorganic phosphor materials. Bridging the gap between foundational science and real-world applications, it provides in-depth coverage of materials synthesis, device fabrication, and the optical properties that drive innovation in lighting, displays, and sensing. With a clear focus on the challenges and opportunities in developing next-generation electroluminescent devices, this book equips researchers with the knowledge and tools needed to enhance efficiency, color quality, and application diversity. It provides vital information for optimizing material properties, troubleshooting device performance, and understanding the interplay between structure and function.

  • Modeling of Electrochemical Machines and Systems

    A Mechanical and Multiphysics Approach
    • 1st Edition
    • Alessandro d’Adamo
    • English
    As the energy transition accelerates, Modeling of Electrochemical Machines and Systems: A Mechanical and Multiphysics Approach addresses a critical educational gap through an interdisciplinary perspective at the intersection of mechanical, electrochemical, materials, and electronic engineering. It introduces fuel cells, electrolyzers, batteries, and hydrogen compressors as analogues to traditional thermal/combustion and fluid-based machinery, enriching their conceptualization by drawing parallels in operating behavior and design logic.The text moves beyond core theorical principles to deliver step-by-step, multi-dimensional modeling of the coupled phenomena—such as transport processes, reaction kinetics, and thermal management—that govern these complex devices as well as their system-level interactions, presenting a cohesive framework for digital prototyping. Uniquely bridging the divide between highly specialized scientific knowledge and applied engineering practice, the book supports its readers’ in-depth understanding of how electrochemical machines function within larger, integrated architectures that demand a nuanced balance of performance, efficiency, and sustainability.Desig... to serve as an authoritative reference resource, this book demonstrates both conceptual rigor and immediate, real-world relevance, with an enduring impact for researchers, professionals, and advanced students committed to catalyzing a critical shift toward clean energy technologies.

  • Phase Equilibrium Engineering

    • 2nd Edition
    • Volume 13
    • Esteban Alberto Brignole + 1 more
    • English
    Phase Equilibrium Engineering, Second Edition, Volume Thirteen offers a comprehensive study on the application of phase equilibrium tools for chemical process development. This updated edition shifts the focus from computing phase equilibria using thermodynamic relationships to designing and controlling phase conditions essential for various processes. The book emphasizes thermodynamic modeling of mixtures crucial for process synthesis, simulation, design, and optimization, providing updated chapters, new sections, case studies, and additional chapters based on the latest experimental work. The book delves into the relationship between mixture molecular properties, the selection of thermodynamic models, and applicable process technologies. It includes a classification of mixtures, separation processes, thermodynamic models, and technologies to guide engineers. The phase conditions required for reacting systems at subcritical and supercritical conditions are studied. The four cardinal points of phase equilibrium engineering—chemical plant/process, laboratory, phase equilibria modeling, and simulation—are harmonized to improve the design and operation of chemical processes.

  • A Beginner's Guide to Computational Chemistry

    Methods and Applications
    • 1st Edition
    • Volume 28
    • John M. Galbraith + 1 more
    • English
    A Beginner's Guide to Computational Chemistry: Methods and Applications provides a basic discussion of computer functionality through operating systems, system administration, and programming followed by a look at key computational methods for electronic structure methods and molecular mechanics, hybrid methods, and solid-state materials. For each topic, essential non-mathematical information is provided so readers can immediately begin to effectively use computational chemistry software. Sections quickly present essential information regarding the fundamental approaches and applications in a down to earth and uncluttered manner.This book is ideal for is upper level undergraduate and entry level graduate students completely new to the field of computational chemistry, and those with little background knowledge. It is well-suited to entry level courses at this level.

  • Metamorphosis of Computational Chemistry Driven by Artificial Intelligence and Industry 5.0

    • 1st Edition
    • Garikapati Narahari Sastry + 3 more
    • English
    Metamorphosis of Computational Chemistry Driven by Artificial Intelligence and Industry 5.0 explores the cutting-edge synergy among Computational Chemistry, Artificial Intelligence (AI), and the emerging paradigm of Industry 5.0. The book offers a comprehensive, introductory overview of how AI-driven techniques are revolutionizing the field of computational chemistry and transforming industries. Readers will explore the convergence of AI algorithms, big data analytics, and advanced computational methods such as Natural language Processing, Image Processing, and Machine Learning in the context of chemical research and industrial processes. The book also discusses how AI is accelerating Computational Chemistry, Materials Science, and Chemical Engineering by automating complex calculations, predicting molecular properties, and optimizing chemical processes. Furthermore, it provides a deep dive into the concept of Industry 5.0, which envisions a new era of manufacturing characterized by human-robot collaboration, intelligent factories, and decentralized production systems. The book illustrates how AI and Computational Chemistry play pivotal roles in realizing the vision of Industry 5.0 by optimizing manufacturing processes, quality control, and sustainability efforts.

  • Introduction to Analytical Voltammetry

    From the Fundamentals to the State-of-the-Art
    • 1st Edition
    • Robert Crapnell + 2 more
    • English
    Introduction to Analytical Voltammetry: From the Fundamentals to the State-of-the-Art provides a comprehensive overview and introduction to both the fundamental background and applied, advanced topics in voltammetry applied in analytical chemistry. The book begins with the basics, including equilibrium electrochemistry, Nernst Equation, electrode kinetics, and cyclic voltammetry, covering the interaction at the electrode interface, as well as how to effectively interpret the data. It proceeds to detail the different aspects of electroanalytical methodology, including various voltametric (stripping, pulse, etc.) and amperometric techniques, with detailed treatments of electrochemical sensors used for the sensing in diverse fields. Subsequent chapters then introduce the state-of-the-art in electroanalytical voltammetry, with an emphasis on 2D material electrochemistry, forensic electrochemistry, sonoelectroanalysis, wearable technology, gas sensors, environmental science, biosensors, circular economy electrochemistry and additive manufacturing electrochemistry. Also featured is a timely chapter on the potential for AI and machine learning techniques for analytical voltammetry. The book is written primarily for advanced undergraduate or graduate students and their tutors in chemistry who need to understand how voltametric techniques are utilized for the study of electrochemical systems and the development of analytical methods.

  • Structural Biology of Amyloid Fibrils

    • 1st Edition
    • Vijay Kumar + 1 more
    • English
    Structural Biology of Amyloid Fibrils provides a comprehensive reference on the structure of protein aggregates in different neurodegenerative diseases, along with their molecular bases. Chapters describe these structures in detail, highlighting their similarities and differences across different disease states along with an unprecedented overview of current developments and new hypotheses emerging in amyloid fibril structure, stability and mechanisms of formation. The book also discusses how amyloid structure may affect the ability of fibrils to spread to different sites in a prion-like manner, as well as their role in disease. Featuring chapters on NMR, X-ray crystallography, and Cryo-EM methods, and discussing the structure of amyloid fibrils obtained directly from patients, the book allows readers to understand how polymorphism is associated with disease phenotype and how fibril structure affects and influences the cellular environment. Understanding the molecular architecture of amyloid fibrils and oligomers will be an important step towards developing therapeutic interventions based on targeting the fibrils and oligomers themselves and the processes that generate them.

  • Handbook of Astrochemistry

    • 1st Edition
    • Wendy A. Brown + 2 more
    • English
    Handbook of Astrochemistry provides a comprehensive overview of astrochemistry as a series of tutorial reviews by leading experts on all experimental, theoretical, computational, and astronomical aspects of this field. Starting from an overview of the observational molecular Universe, it then moves on to describe the state-of-the-art knowledge in the fields of gas-phase and solid-phase laboratory and computational astrochemistry; its use in astrochemical modelling; and finally how observations of molecules shape our understanding of how stars and planets form and of the chemical origins of biology.Combining the knowledge and experience of an international team of experts, this book is an authoritative, accessible guide for all those working in related fields.

  • Cheminformatics with Python

    • 1st Edition
    • Volume 26
    • Hongmei Lu + 1 more
    • English
    Cheminformatics with Python provides a ground-up, practical introduction that helps reader make effective use of the software. In four parts, including programming, data, methods, and applications, the book provides a brief introduction to Python language and related scientific computing, cheminformatics, machine learning, and deep learning packages and presents a systematic study of the representation of instrumental data, including molecular structures and common chemical databases. The methods section covers analytical signal processing, multivariate calibration, multivariate resolution, classical machine learning, and deep learning methods. Finally, the application section presents case studies of successful applications of cheminformatics in analytical chemistry, metabolomics, drug discovery, and more.A supporting appendix section and the necessary mathematical, statistical, and information theory-related theories are provided, along with practical tips such as code editors and source code management. Online coding materials on GitHub and an individual Jupyter notebook for each chapter further support practical learning. This book will be a great resource for senior undergraduate students, graduate students, post-docs, and professors primarily in the field of computational and analytical chemistry.

  • Unveiling the Atom and Its Nucleus

    Discoveries, Insights, and Understanding
    • 1st Edition
    • Michael F. L'Annunziata
    • English
    Unveiling the Atom and Its Nucleus: Discoveries, Insights, and Understanding explores how chemists and physicists have used scientific principles and experimentation to unveil the structure of the atom, factors governing nuclear stability and decay, modes of nuclear decay, and how the components of the atom interrelate to govern nuclear stability or predict its instability. Examples are featured, showing how discoveries (some considered insignificant at the time) have led to remarkable findings and resulted in our knowledge of the concepts and properties of the atom, such as Oliphant’s discovery of nuclear fusion, Bethe’s energy production in stars, and consequent current fusion energy development.The book also describes a dichotomy in the application of atomic energy that includes current advances in vital applications such as nuclear medicine and nuclear energy upon which we depend dearly and the current proliferation of nuclear weapons that threaten our continued existence.

  • Electrochemical Pathways for Sustainable Energy and Resource Recovery

    • 1st Edition
    • Vincent Gomes + 1 more
    • English
    Electrochemical Pathways for Sustainable Energy and Resource Recovery explores the innovative intersection of electrochemistry, bioenergy, and resource recovery. The book reviews current electrochemical technologies and future trends in sustainable bioenergy and resource recovery, including biodegradable materials into usable forms of energy. It covers the basics of electrochemical principles, electrode materials, and cell configurations and focuses on hydrogen and other energy carriers such as syngas and ammonia. The book also introduces electrochemical CO2 reduction technologies and provides a cost analysis and lifecycle assessment of electrolysis-based bioenergy systems.It begins with fundamentals, covering principles, electrode materials, electrolytes, and cell configurations, and examines the integration of electrolysis with waste-to-energy processes. In addition, the book introduces electrochemical solutions for energy and resource recovery, highlighting the role of electrolysis in sustainable energy production and photoelectrochemical systems. A dedicated chapter on electrolytic hydrogen production, including design considerations and integration with renewable energy sources is also included as are advanced wastewater treatment through electrolysis. The book also explores electrochemical methods for biomass upgrading and valorization, integrating electrolysis with anaerobic digestion and waste-to-energy processes, amongst many other important topics.

  • Nucleation

    Basic Theory with Applications
    • 2nd Edition
    • Dimo Kashchiev
    • English
    Nucleation: Basic Theory with Applications, Second Edition updates the classic, highly cited introductory work by Dimo Kashchiev. It is a detailed and systematic account of the basic principles, developments, and applications of the theory of nucleation. The first two parts of the book describe the two basic approaches in nucleation theory: thermodynamic and kinetic. They contain derivations of the basic and most important formula of the theory and discuss their limitations and possibilities for improvement. The third part deals with some of the factors that can affect nucleation, and is a natural continuation of the first two chapters.The last part is devoted to the application of the theory to processes of practical importance, such as melt crystallization and polymorphic transformation, crystal growth and growth of thin solid films, size distribution of droplets, and crystallites in condensation and crystallization. Included is a new chapter on the formation of gas hydrates. Several appendices have also been added providing important contemporary results in nucleation theory.

  • Mathematical Physics in Theoretical Chemistry

    • 1st Edition
    • S.M. Blinder + 1 more
    • English

  • Electrochemistry at Metal and Semiconductor Electrodes

    • 1st Edition
    • Norio Sato
    • English

  • Reactions in the Solid State

    • 1st Edition
    • Volume 22
    • A.K. Galwey + 2 more
    • English

  • Advances in Chemical Engineering

    Photocatalytic Technologies
    • 1st Edition
    • Volume 36
    • English

  • Supercritical Fluids as Solvents and Reaction Media

    • 1st Edition
    • Gerd H. Brunner
    • English

  • Theory of Simple Liquids

    with Applications to Soft Matter
    • 4th Edition
    • Jean-Pierre Hansen + 1 more
    • English

  • Annual Reports in Computational Chemistry

    • 1st Edition
    • Volume 10
    • Ralph A. Wheeler
    • English

  • Single-Atom Catalysis

    A Forthcoming Revolution in Chemistry
    • 1st Edition
    • Mario Pagliaro
    • English

  • The Aqueous Chemistry of Polonium and the Practical Application of its Thermochemistry

    • 1st Edition
    • Susan A. Brown + 1 more
    • English

  • Theoretical and Computational Approaches to Predicting Ionic Liquid Properties

    • 1st Edition
    • Aswathy Joseph + 1 more
    • English

  • Chemistry of Nanomaterials

    Fundamentals and Applications
    • 1st Edition
    • Aqsa Tehseen + 2 more
    • English

  • Semiconductor Sensors in Physico-Chemical Studies

    Translated from Russian by V.Yu. Vetrov
    • 1st Edition
    • Volume 4
    • L.Yu Kupriyanov
    • English

  • Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry

    • 1st Edition
    • Volume 73
    • English

  • Structure and Dynamics of Macromolecules: Absorption and Fluorescence Studies

    • 1st Edition
    • J.R. Albani
    • English

  • The Nature of Mathematics and the Mathematics of Nature

    • 1st Edition
    • M. Jacob + 1 more
    • English

  • Nuclear and Radiochemistry

    • 2nd Edition
    • Noemi M. Nagy + 1 more
    • English

  • Principles and Applications of Quantum Chemistry

    • 1st Edition
    • V.P. Gupta
    • English

  • Particles at Interfaces

    Interactions, Deposition, Structure
    • 2nd Edition
    • Volume 20
    • Zbigniew Adamczyk
    • English

  • Green Chemistry and Computational Chemistry

    Shared Lessons in Sustainability
    • 1st Edition
    • Liliana Mammino
    • English

  • Properties and Functionalization of Graphene

    A Computational Chemistry Approach
    • 1st Edition
    • Volume 21
    • Dinadayalane Tandabany + 1 more
    • English

  • Optics of Charged Particles

    • 2nd Edition
    • Hermann Wollnik
    • English

  • Gas-Particle and Granular Flow Systems

    Coupled Numerical Methods and Applications
    • 1st Edition
    • Nan Gui + 3 more
    • English

  • The Corresponding-States Principle and its Practice

    Thermodynamic, Transport and Surface Properties of Fluids
    • 1st Edition
    • Hong Wei Xiang
    • English

  • Computational Quantum Chemistry

    Insights into Polymerization Reactions
    • 1st Edition
    • Masoud Soroush
    • English

  • Fundamental Chemical Kinetics

    An Explanatory Introduction to the Concepts
    • 1st Edition
    • M R Wright
    • English

  • Introduction to Graphene

    Chemical and Biochemical Applications
    • 1st Edition
    • Ajith Pattammattel + 1 more
    • English

  • Electrochemistry of Dihydroxybenzene Compounds

    Carbon Based Electrodes and Their Uses in Synthesis and Sensors
    • 1st Edition
    • Hanieh Ghadimi + 2 more
    • English

  • Laboratory Methods in Microfluidics

    • 1st Edition
    • Basant Giri
    • English

  • Chemical Ecology and Phytochemistry of Forest Ecosystems

    Proceedings of the Phytochemical Society of North America
    • 1st Edition
    • Volume 39
    • J.T. Romeo
    • English

  • Charge and Energy Storage in Electrical Double Layers

    • 1st Edition
    • Volume 24
    • Angel V. Delgado + 1 more
    • English

  • Electrochemistry for Materials Science

    • 1st Edition
    • Walfried Plieth
    • English

  • Frontiers in Computational Chemistry: Volume 2

    Computer Applications for Drug Design and Biomolecular Systems
    • 1st Edition
    • Jeffry D. Madura + 1 more
    • English

  • Biosensors: Kinetics of Binding and Dissociation Using Fractals

    • 1st Edition
    • Ajit Sadana
    • English

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