LEADER 03730nam 22006132 450 001 9911006650103321 005 20151005020621.0 010 $a1-107-16537-7 010 $a1-280-75043-X 010 $a9786610750436 010 $a0-511-26952-8 010 $a0-511-27008-9 010 $a0-511-26825-4 010 $a0-511-32298-4 010 $a1-60119-753-5 010 $a0-511-61847-6 010 $a0-511-26892-0 035 $a(CKB)1000000000352456 035 $a(EBL)288473 035 $a(OCoLC)437176919 035 $a(SSID)ssj0000072574 035 $a(PQKBManifestationID)11125417 035 $a(PQKBTitleCode)TC0000072574 035 $a(PQKBWorkID)10103544 035 $a(PQKB)11629588 035 $a(UkCbUP)CR9780511618475 035 $a(MiAaPQ)EBC288473 035 $a(PPN)261311859 035 $a(EXLCZ)991000000000352456 100 $a20090915d2007|||| uy| 0 101 0 $aeng 135 $aur||||||||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aMolecular models for fluids /$fKlaus Lucas 210 1$aCambridge :$cCambridge University Press,$d2007. 215 $a1 online resource (xvii, 388 pages) $cdigital, PDF file(s) 300 $aTitle from publisher's bibliographic system (viewed on 05 Oct 2015). 311 08$a1-107-40251-4 311 08$a0-521-85240-4 320 $aIncludes bibliographical references and index. 327 $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. 330 $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. 606 $aFluid dynamics$xMathematical models 615 0$aFluid dynamics$xMathematical models. 676 $a620.1/064015118 700 $aLucas$b Klaus$01825447 801 0$bUkCbUP 801 1$bUkCbUP 906 $aBOOK 912 $a9911006650103321 996 $aMolecular models for fluids$94393128 997 $aUNINA