Coverart for item
The Resource Molecular models for fluids, Klaus Lucas

Molecular models for fluids, Klaus Lucas

Label
Molecular models for fluids
Title
Molecular models for fluids
Statement of responsibility
Klaus Lucas
Creator
Subject
Language
eng
Summary
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
Member of
Cataloging source
BUF
http://library.link/vocab/creatorName
Lucas, Klaus
Dewey number
620.1/064015118
Illustrations
illustrations
Index
index present
LC call number
TA357
LC item number
.L78 2007eb
Literary form
non fiction
Nature of contents
  • dictionaries
  • bibliography
http://library.link/vocab/subjectName
  • Fluid dynamics
  • TECHNOLOGY & ENGINEERING
  • Fluid dynamics
Label
Molecular models for fluids, Klaus Lucas
Instantiates
Publication
Bibliography note
Includes bibliographical references and index
Carrier category
online resource
Carrier category code
  • cr
Carrier MARC source
rdacarrier
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
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
Control code
320232739
Extent
1 online resource (xvii, 388 pages)
Form of item
online
Isbn
9780511270086
Lccn
2006018286
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other control number
100445992
Other physical details
illustrations
Specific material designation
remote
System control number
(OCoLC)320232739
Label
Molecular models for fluids, Klaus Lucas
Publication
Bibliography note
Includes bibliographical references and index
Carrier category
online resource
Carrier category code
  • cr
Carrier MARC source
rdacarrier
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
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
Control code
320232739
Extent
1 online resource (xvii, 388 pages)
Form of item
online
Isbn
9780511270086
Lccn
2006018286
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other control number
100445992
Other physical details
illustrations
Specific material designation
remote
System control number
(OCoLC)320232739

Library Locations

    • Ellis LibraryBorrow it
      1020 Lowry Street, Columbia, MO, 65201, US
      38.944491 -92.326012
    • Engineering Library & Technology CommonsBorrow it
      W2001 Lafferre Hall, Columbia, MO, 65211, US
      38.946102 -92.330125
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