Molecular models for fluids

This book presents the development of modern molecular models for fluids from the interdisciplinary fundamentals of classical and statistical mechanics, of electrodynamics and of quantum mechanics. The concepts and working equations of the various fields are briefly derived and illustrated in the co...

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Bibliographic Details
Main Author: Lucas, Klaus.
Format: eBook
Language: English
Published: Cambridge ; New York : Cambridge University Press, ©2007.
Subjects:
ISBN: 1601197535
9781601197535
9780511270086
0511270089
0511269528
9780511269523
9780521852401
0521852404
1107165377
9780511618475
0511618476
9781107402515
1107402514
Physical Description: 1 online resource (xvii, 388 pages) : illustrations

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Table of contents

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008 090505s2007 enka ob 001 0 eng d
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100 1 |a Lucas, Klaus. 
245 1 0 |a Molecular models for fluids /  |c Klaus Lucas. 
264 1 |a Cambridge ;  |a New York :  |b Cambridge University Press,  |c ©2007. 
300 |a 1 online resource (xvii, 388 pages) :  |b illustrations 
336 |a text  |b txt  |2 rdacontent 
337 |a computer  |b c  |2 rdamedia 
338 |a online resource  |b cr  |2 rdacarrier 
504 |a Includes bibliographical references and index. 
505 0 |a Foundations -- The ideal gas -- Excess function models -- Equation of state models -- Appendix 1 : Fundamental constants and atomic units -- Appendix 2 : Stirling's formula -- Appendix 3 : Relative probability of a microstate -- Appendix 4 : Spherical harmonics, rotation matrices, and clebsch-gordan coefficients -- Appendix 5 : Higher-order pertubation terms for the intermolecular potential energy of simple molecules -- Appendix 6 : Rules for integration -- Appendix 7 : Internal rotation contributions -- Appendix 8 : Quasichemical approximation for the degeneracy in a lattice -- Appendix 9 : Off-lattice formulation of the quasichemical approximation -- Appendix 10 : Combinatorial contribution to the excess entropy in a lattice -- Appendix 11 : Integration variables for three-body interactions -- Appendix 12 : Multipole perturbation terms for the high-temperature expansion. 
506 |a Plný text je dostupný pouze z IP adres počítačů Univerzity Tomáše Bati ve Zlíně nebo vzdáleným přístupem pro zaměstnance a studenty 
520 |a This book presents the development of modern molecular models for fluids from the interdisciplinary fundamentals of classical and statistical mechanics, of electrodynamics and of quantum mechanics. The concepts and working equations of the various fields are briefly derived and illustrated in the context of understanding the properties of molecular systems. Special emphasis is devoted to the quantum mechanical basis, since this is used throughout in the calculation of the molecular energy of a system. The book is application oriented. It stresses those elements that are essential for practical model development. The fundamentals are then used to derive models for various types of applications. Finally, equation of state models are presented based on quantum chemically based models for the intermolecular potential energy and perturbation theory. The book is suited for graduate courses in chemical and mechanical engineering, physics and chemistry, but may also, by proper selection, be found useful on the undergraduate level. 
590 |a Knovel  |b Knovel (All titles) 
650 0 |a Fluid dynamics  |x Mathematical models. 
655 7 |a elektronické knihy  |7 fd186907  |2 czenas 
655 9 |a electronic books  |2 eczenas 
776 0 8 |i Print version:  |a Lucas, Klaus.  |t Molecular models for fluids.  |d Cambridge ; New York : Cambridge University Press, ©2007  |z 9780521852401  |w (DLC) 2006018286  |w (OCoLC)70054257 
856 4 0 |u https://proxy.k.utb.cz/login?url=https://app.knovel.com/hotlink/toc/id:kpMMF00001/molecular-models-for?kpromoter=marc  |y Full text