Reaction-Transport Systems, Vicenc Mendez; Sergei Fedotov; Werner Horsthemke

Автор: Datta, Supriyo
Название: Electronic transport in mesoscopic systems
ISBN: 0521599431 ISBN-13(EAN): 9780521599436
Издательство: Cambridge Academ
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Описание: A thorough account of the theory of electronic transport in semiconductor nanostructures. Covers such topics as the quantum Hall effect, localisation, double-barrier tunnelling and the Green`s function formalism of quantum transport. Problems and solutions are given at the end of each chapter.

Автор: K.H. Ebert; P. Deuflhard; W. J?ger
Название: Modelling of Chemical Reaction Systems
ISBN: 3642682227 ISBN-13(EAN): 9783642682223
Издательство: Springer
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Описание: For rather a long time numerical results in chemical kinetics could only be obtained for very simple chemical reactions, most of which were of minor practi ca 1 importance. The avail abil ity of fast computers has provi ded new opportunities for developments in chemical kinetics. Chemical systems of practical interest are usually very complicated. They consi st of a great number of different el ementary chemi cal reacti ons, mostly with rate constants differi ng by many orders of magni tude, frequently with surface reacti on steps and often wi th transport processes. The deri vati on of a 'true' chemical mechani sm can be extremely cumbersome. Mostly this work is done by setting up 'reaction models' which are im- proved step by step in comparison with precise experimental data. At this early stage mathematics is involved, which may al ready be rather complicated. Mathematical methods such as pertubation theory, graph theory, sensitivity analysis or numerical integration are necessary for the derivation and application of optimal chemical reaction models. Most theoretical work aimed at improving the mathematical methods was done on chemical reactions which mostly were of little practical im- portance. Chemi cal engi neers, who evi dently k now well how important the chemical model s and their dynamics are for reactor desi gn, have al so to be convinced not only on the theoretical work but also on its practical applic- abil ity.

Автор: Shuai
Название: Theory of Charge Transport in Carbon Electronic Materials
ISBN: 3642250750 ISBN-13(EAN): 9783642250750
Издательство: Springer
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Описание: Mechanism of charge transport in organic solids has been an issue of intensive interests and debates for over 50 years, not only because of the applications in printing electronics, but also because of the great challenges in understanding the electronic processes in complex systems. With the fast developments of both electronic structure theory and the computational technology, the dream of predicting the charge mobility is now gradually becoming a reality. This volume describes recent progresses in Prof. Shuai’s group in developing computational tools to assess the intrinsic carrier mobility for organic and carbon materials at the first-principles level. According to the electron-phonon coupling strength, the charge transport mechanism is classified into three different categories, namely, the localized hopping model, the extended band model, and the polaron model. For each of them, a corresponding theoretical approach is developed and implemented into typical examples.

Автор: Wong Basil T., MengГјГ§ Pinar M.
Название: Thermal Transport for Applications in Nanomachining
ISBN: 3540736050 ISBN-13(EAN): 9783540736059
Издательство: Springer
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Описание: Nanotechnology remains one of the most active and intriguing research and development areas and the importance of novel devices and systems engineered at the nanoscale is steadily increasing. This book addresses the significant role played by thermal transport in all types of machining processes, considering the various time and length scales relevant from the macro-scale to the nanoscale levels. In particular, it reviews and highlights of thermal transport theories related to "nanomachining," a term loosely defined as the ability to shape, form, or build new structures at the nanoscale (1-100 nm). Beginning with an overview of nanomachining, the monograph introduces the relevant concepts from solid-state physics, thermodynamics, and lattice structures. Attention is then given to the modelling of thermal transport at the nanoscale, including electron-beam propagation, the electronic thermal conduction, and the phonon transport. Simulations of different processes relevant to nanomachining are described in detail. The final chapter of the monograph summarizes the important points and discusses directions for future work to improve the modelling of nanomachining.

Автор: Peters, Baron
Название: Reaction rate theory and rare events
ISBN: 0444563490 ISBN-13(EAN): 9780444563491
Издательство: Elsevier Science
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Цена: 13298.00 р.
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Описание: Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis, diffusion limited kinetics, mean first passage times, Kramers theory, Grote-Hynes theory, transition path theory, non-adiabatic reactions, electron transfer, and topics from reaction network analysis. It is an essential reference for students, professors and scientists who use reaction rate theory or the theory of rare events. In addition, the book discusses transition state search algorithms, tunneling corrections, transmission coefficients, microkinetic models, kinetic Monte Carlo, transition path sampling, and importance sampling methods. The unified treatment in this book explains why chemical reactions and other rare events, while having many common theoretical foundations, often require very different computational modeling strategies.

Автор: Ismail Tosun
Название: The Thermodynamics of Phase and Reaction Equilibria,
ISBN: 0444594973 ISBN-13(EAN): 9780444594976
Издательство: Elsevier Science
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Цена: 18022.00 р.
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Описание: This book provides a sound foundation for understanding abstract concepts of phase and reaction equilibria (e.g. partial molar Gibbs energy, fugacity, and activity), and shows how to apply these concepts to solve practical problems using numerous clear examples. It also presents numerical methods necessary for solving real-world problems as well the basic mathematics needed, facilitating its use as a self-study reference work. In the example problems requiring MATHCAD® for the solution, the results of the intermediate steps are given, enabling the reader to easily track mistakes and understand the order of magnitude of the various quantities involved.

Автор: Hamid Arastoopour; Dimitri Gidaspow; Emadoddin Abb
Название: Computational Transport Phenomena of Fluid-Particle Systems
ISBN: 3319454889 ISBN-13(EAN): 9783319454887
Издательство: Springer
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Цена: 16769.00 р.
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Описание: This book concerns the most up-to-date advances in computational transport phenomena (CTP), an emerging tool for the design of gas-solid processes such as fluidized bed systems.

Автор: Alexey Melkikh; Maria Sutormina
Название: Developing Synthetic Transport Systems
ISBN: 9400758928 ISBN-13(EAN): 9789400758926
Издательство: Springer
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Цена: 10448.00 р.
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Описание: Understanding the general laws of an effective system for transport of substances in cells is an important goal of systems and synthetic biology, this book helps us to answer why transport subsystem of a cell is arranged as it is. It describes linear and nonlinear programming, game theory for models of ion transport in different types of cells.

Автор: J?rgen Warnatz; Willi J?ger
Название: Complex Chemical Reaction Systems
ISBN: 3642832261 ISBN-13(EAN): 9783642832260
Издательство: Springer
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Цена: 18284.00 р.
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