000			03038nam a22003378i 4500
001			CR9780511618475
003			UkCbUP
005			20200124160330.0
006			m|||||o||d||||||||
007			cr||||||||||||
008			090915s2007||||enk o ||1 0|eng|d
020			_a9780511618475 (ebook)
020			_z9780521852401 (hardback)
020			_z9781107402515 (paperback)
040			_aUkCbUP _beng _erda _cUkCbUP
050	0	0	_aTA357 _b.L78 2007
082	0	0	_a620.1/064015118 _222
100	1		_aLucas, Klaus, _eauthor.
245	1	0	_aMolecular models for fluids / _cKlaus Lucas.
264		1	_aCambridge : _bCambridge University Press, _c2007.
300			_a1 online resource (xvii, 388 pages) : _bdigital, PDF file(s).
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
500			_aTitle from publisher's bibliographic system (viewed on 05 Oct 2015).
505	0		_aFoundations -- 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.
520			_aThis 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.
650		0	_aFluid dynamics _xMathematical models.
776	0	8	_iPrint version: _z9780521852401
856	4	0	_uhttps://doi.org/10.1017/CBO9780511618475
999			_c522509 _d522507