Classical Nucleation Theory In Multicomponent Systems
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| Author | : Hanna Vehkamäki |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 189 |
| Release | : 2006-03-22 |
| Genre | : Science |
| ISBN | : 3540312188 |
Nucleation is the initial step of every first-order phase transition, and most phase transitions encountered both in everyday life and industrial processes are of the first-order. Using an elegant classical theory based on thermodynamics and kinetics, this book provides a fully detailed picture of multi-component nucleation. As many of the issues concerning multi-component nucleation theory have been solved during the last 10-15 years, it also thoroughly integrates both fundamental theory with recent advances presented in the literature. Classical Nucleation Theory in Multicomponent Systems serves as a textbook for advanced thermodynamics courses, as well as an important reference for researchers in the field. The main topics covered are: the basic relevant thermodynamics and statistical physics; modelling a molecular cluster as a spherical liquid droplet; predicting the size and composition of the nucleating critical clusters; kinetic models for cluster growth and decay; calculating nucleation rates; and a full derivation and application of nucleation theorems that can be used to extract microscopic cluster properties from nucleation rate measurements. The assumptions and approximations needed to build the classical theory are described in detail, and the reasons why the theory fails in certain cases are explained. Relevant problems are presented at the end of each chapter.
| Author | : Hanna Vehkamäki |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 189 |
| Release | : 2006-01-12 |
| Genre | : Science |
| ISBN | : 3540292136 |
Nucleation is the initial step of every first-order phase transition, and most phase transitions encountered both in everyday life and industrial processes are of the first-order. Using an elegant classical theory based on thermodynamics and kinetics, this book provides a fully detailed picture of multi-component nucleation. As many of the issues concerning multi-component nucleation theory have been solved during the last 10-15 years, it also thoroughly integrates both fundamental theory with recent advances presented in the literature. Classical Nucleation Theory in Multicomponent Systems serves as a textbook for advanced thermodynamics courses, as well as an important reference for researchers in the field. The main topics covered are: the basic relevant thermodynamics and statistical physics; modelling a molecular cluster as a spherical liquid droplet; predicting the size and composition of the nucleating critical clusters; kinetic models for cluster growth and decay; calculating nucleation rates; and a full derivation and application of nucleation theorems that can be used to extract microscopic cluster properties from nucleation rate measurements. The assumptions and approximations needed to build the classical theory are described in detail, and the reasons why the theory fails in certain cases are explained. Relevant problems are presented at the end of each chapter.
| Author | : Seunghwa Ryu |
| Publisher | : Stanford University |
| Total Pages | : 240 |
| Release | : 2011 |
| Genre | : |
| ISBN | : |
Nucleation has been the subject of intense research because it plays an important role in the dynamics of most first-order phase transitions. The standard theory to describe the nucleation phenomena is the classical nucleation theory (CNT) because it correctly captures the qualitative features of the nucleation process. However potential problems with CNT have been suggested by previous studies. We systematically test the individual components of CNT by computer simulations of the Ising model and find that it accurately predicts the nucleation rate if the correct droplet free energy computed by umbrella sampling is provided as input. This validates the fundamental assumption of CNT that the system can be coarse grained into a one dimensional Markov chain with the largest droplet size as the reaction coordinate. Employing similar simulation techniques, we study the dislocation nucleation which is essential to our understanding of plastic deformation, ductility, and mechanical strength of crystalline materials. We show that dislocation nucleation rates can be accurately predicted over a wide range of conditions using CNT with the activation free energy determined by umbrella sampling. Our data reveal very large activation entropies, which contribute a multiplicative factor of many orders of magnitude to the nucleation rate. The activation entropy at constant strain is caused by thermal expansion, with negligible contribution from the vibrational entropy. The activation entropy at constant stress is significantly larger than that at constant strain, as a result of thermal softening. The large activation entropies are caused by anharmonic effects, showing the limitations of the harmonic approximation widely used for rate estimation in solids. Similar behaviors are expected to occur in other nucleation processes in solids.
| Author | : V.I. Kalikmanov |
| Publisher | : Springer |
| Total Pages | : 319 |
| Release | : 2012-11-28 |
| Genre | : Science |
| ISBN | : 9048136431 |
One of the most striking phenomena in condensed matter physics is the occurrence of abrupt transitions in the structure of a substance at certain temperatures or pressures. These are first order phase transitions, and examples such as the freezing of water are familiar in everyday life. The conditions at which the transformation takes place can sometimes vary. For example, the freezing point of water is not always 0°C, but the liquid can be supercooled considerably if it is pure enough and treated carefully. The reason for this phenomenon is nucleation. This monograph covers all major available routes of theoretical research of nucleation phenomena (phenomenological models, semi-phenomenological theories, density functional theories, microscopic and semi-microscopic approaches), with emphasis on the formation of liquid droplets from a metastable vapor. Also, it illustrates the application of these various approaches to experimentally relevant problems. In spite of the familiarity of the involved phenomena, it is still impossible to calculate nucleation accurately, as the properties and the kinetics of the daughter phase are insufficiently well known. Existing theories based upon classical nucleation theory have on the whole explained the trends in behavior correctly. However they often fail spectacularly to account for new data, in particular in the case of binary or, more generally, multi-component nucleation. The current challenge of this book is to go beyond such classical models and provide a more satisfactory theory by using density functional theory and microscopic computer simulations in order to describe the properties of small clusters. Also, semi-phenomenological models are proposed, which attempt to relate the properties of small clusters to known properties of the bulk phases. This monograph is an introduction as well as a compendium to researchers in soft condensed matter physics and chemical physics, graduate and post-graduate students in physics and chemistry starting on research in the area of nucleation, and to experimentalists wishing to gain a better understanding of the efforts being made to account for their data.
| Author | : Klaus D. Sattler |
| Publisher | : CRC Press |
| Total Pages | : 1003 |
| Release | : 2018-09-03 |
| Genre | : Science |
| ISBN | : 148225705X |
The Carbon Nanomaterials Sourcebook contains extensive, interdisciplinary coverage of carbon nanomaterials, encompassing the full scope of the field—from physics, chemistry, and materials science to molecular biology, engineering, and medicine—in two comprehensive volumes. Written in a tutorial style, this second volume of the sourcebook: Focuses on nanoparticles, nanocapsules, nanofibers, nanoporous structures, and nanocomposites Describes the fundamental properties, growth mechanisms, and processing of each nanomaterial discussed Explores functionalization for electronic, energy, biomedical, and environmental applications Showcases materials with exceptional properties, synthesis methods, large-scale production techniques, and application prospects Provides the tools necessary for understanding current and future technology developments, including important equations, tables, and graphs Each chapter is dedicated to a different type of carbon nanomaterial and addresses three main areas: formation, properties, and applications. This setup allows for quick and easy search, making the Carbon Nanomaterials Sourcebook: Nanoparticles, Nanocapsules, Nanofibers, Nanoporous Structures, and Nanocomposites a must-have reference for scientists and engineers.
| Author | : Marek Ochowiak |
| Publisher | : Springer Nature |
| Total Pages | : 514 |
| Release | : 2020-05-08 |
| Genre | : Science |
| ISBN | : 3030398676 |
This book discusses chemical engineering and processing, presenting selected contributions from PAIC 2019. It covers interdisciplinary technologies and sciences, like drug-delivery systems, nanoscale technology, environmental control, modelling and computational methods. The book also explores interdisciplinary aspects of chemical and biochemical engineering interconnected with process system engineering, process safety and computer science.
| Author | : Jürn W. P. Schmelzer |
| Publisher | : John Wiley & Sons |
| Total Pages | : 472 |
| Release | : 2006-03-06 |
| Genre | : Technology & Engineering |
| ISBN | : 3527604766 |
An overview of recent developments in the field of first-order phase transitions, which may be considered a continuation of the previous work 'Aggregation Phenomena in Complex Systems', covering work done and discussed since then. Each chapter features a different aspect of the field written by international specialists, and covers such topics as nucleation and crystallization kinetic of silicate glasses, nucleation in concentration gradients, the determination of coefficients of emission of nucleation theory, diamonds from vitreous carbon.
| Author | : Hans-Jürgen Butt |
| Publisher | : John Wiley & Sons |
| Total Pages | : 485 |
| Release | : 2023-02-07 |
| Genre | : Science |
| ISBN | : 3527836160 |
Physics and Chemistry of Interfaces Comprehensive textbook on the interdisciplinary field of interface science, fully updated with new content on wetting, spectroscopy, and coatings Physics and Chemistry of Interfaces provides a comprehensive introduction to the field of surface and interface science, focusing on essential concepts rather than specific details, and on intuitive understanding rather than convoluted math. Numerous high-end applications from surface technology, biotechnology, and microelectronics are included to illustrate and help readers easily comprehend basic concepts. The new edition contains an increased number of problems with detailed, worked solutions, making it ideal as a self-study resource. In topic coverage, the highly qualified authors take a balanced approach, discussing advanced interface phenomena in detail while remaining comprehensible. Chapter summaries with the most important equations, facts, and phenomena are included to aid the reader in information retention. A few of the sample topics included in Physics and Chemistry of Interfaces are as follows: Liquid surfaces, covering microscopic picture of a liquid surface, surface tension, the equation of Young and Laplace, and curved liquid surfaces Thermodynamics of interfaces, covering surface excess, internal energy and Helmholtz energy, equilibrium conditions, and interfacial excess energies Charged interfaces and the electric double layer, covering planar surfaces, the Grahame equation, and limitations of the Poisson-Boltzmann theory Surface forces, covering Van der Waals forces between molecules, macroscopic calculations, the Derjaguin approximation, and disjoining pressure Physics and Chemistry of Interfaces is a complete reference on the subject, aimed at advanced students (and their instructors) in physics, material science, chemistry, and engineering. Researchers requiring background knowledge on surface and interface science will also benefit from the accessible yet in-depth coverage of the text.
| Author | : Detlev Möller |
| Publisher | : Walter de Gruyter GmbH & Co KG |
| Total Pages | : 1132 |
| Release | : 2022-05-09 |
| Genre | : History |
| ISBN | : 3110732513 |
The work in your hand contains three main chapters, covering the chemistry of the condensed phase in the atmosphere, first, the different forms of atmospheric waters (precipitation, fog and clouds, dew), and secondly dust, now mostly termed particulate matter and, more scientifically, atmospheric aerosol. A third section treats the gases in the atmosphere. An introductory chapter covers the roots of the term atmospheric chemistry in its relations to chemistry in general and biogeochemistry as the chemistry of the climate system. Furthermore, a brief overview of understanding chemical reactions in aqueous and gaseous phase is given. It is my aim to pay respect to all persons who studied the substances in the air, to those who made small, and to them who made giant contributions for the progress in atmospheric science. I’m not a historian who is able to present the past from a true perspective of their time – this also would not be my aim. If possible, however, I try to interpret the past – almost limited to experimental fi ndings in the nineteenth century – through current values, without dismissal of the problems and ideas of earlier scientists. In this way it is possible to draw some ideas on the historical chemical state of the air. Hence, I name this voyage critical. However, nowhere in this book it is my attention to express my criticism to colleagues and scientifi c ancestors. Great scientists too were subject to errors; doing science consists from the permanent loop observation, interpretation, conclusion, and again testing against new observation. If this volume can contribute more than to be “a nice story” on atmospheric chemistry, then hopefully it inspires the reader to more critical reading of scientifi c publications, and, not to forget the older one. 2022 ASLI Choice Awards Winner! The book won the annual Atmospheric Science Librarians International (ASLI) award. For details see here: https://www.aslionline.org/wp/2022-asli-choice-awards-winners/
| Author | : Jaroslav Šesták |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 498 |
| Release | : 2012-10-28 |
| Genre | : Technology & Engineering |
| ISBN | : 9048131502 |
Thermal Analysis of Micro-, Nano- and Non-Crystalline Materials: Transformation, Crystallization, Kinetics, and Thermodynamics complements and adds to volume 8 Glassy, Amorphous and Nano-Crystalline Materials by providing a coherent and authoritative overview of cutting-edge themes in this field. In particular, the book focuses on reaction thermodynamics and kinetics applied to solid-state chemistry and thermal physics of various states of materials. Written by an international array of distinguished academics, the book deals with fundamental and historical aspects of phenomenological kinetics, equilibrium background of processes, crystal defects, non-stoichiometry and nano-crystallinity, reduced glass-transition temperatures and glass-forming coefficients, determination of the glass transition by DSC, the role of heat transfer and phase transition in DTA experiments, explanation of DTA/DSC methods used for the estimation of crystal nucleation, structural relaxation and viscosity behaviour in glass and associated relaxation kinetics, influence of preliminary nucleation and coupled phenomenological kinetics, nucleation on both the strongly curved surfaces and nano-particles, crystallization of glassy and amorphous materials including oxides, chalcogenides and metals, non-parametric and fractal description of kinetics, disorder and dimensionality in nano-crystalline diamond, thermal analysis of waste glass batches, amorphous inorganic polysialates and bioactivity of hydroxyl groups as well as reaction kinetics and unconventional glass formability of oxide superconductors. Thermal Analysis of Micro-, Nano- and Non-Crystalline Materials: Transformation, Crystallization, Kinetics, and Thermodynamics is a valuable resource to advanced undergraduates, postgraduates, and researches working in the application fields of material thermodynamics, thermal analysis, thermophysical measurements, and calorimetry.
