Perturbation Theory and Equation of State for Fluids. II. A Successful Theory of Liquids Export

@article{citeulike:1721677, abstract = {The perturbation theory previously shown to give good results for the equation of state of a square-well fluid at liquid densities and temperatures is applied to more realistic potentials with soft repulsion, in particular the 6:12 potential. For an arbitrary potential function a modified potential is defined involving three parameters, namely a hard-sphere diameter, an inverse-steepness parameter for the repulsive region, and a depth parameter for the attractive region. When the latter parameters are zero, the modified potential becomes the hard-sphere potential; when they are one, it becomes the original potential. The configuration integral is expanded in a double-power series in the inverse-steepness and depth parameters, the hard-sphere diameter being chosen so that the first-order term in the inverse-steepness parameter is zero. The first-order term in the depth parameter is evaluated essentially exactly and the second-order term approximately: other second-order terms and all higher-order terms are neglected. The resulting equation of state is in good agreement with molecular dynamics, Monte Carlo results, and experimental data for argon at all temperatures and densities relevant for fluids. \©1968 American Institute of Physics}, author = {Barker, J. A. and Henderson, D.}, citeulike-article-id = {1721677}, citeulike-linkout-0 = {http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=JCPSA6000047000011004714000001&idtype=cvips&gifs=yes}, citeulike-linkout-1 = {http://link.aip.org/link/?JCP/47/4714}, citeulike-linkout-2 = {http://dx.doi.org/10.1063/1.1701689}, doi = {10.1063/1.1701689}, journal = {The Journal of Chemical Physics}, keywords = {hard, perturbation, spheres}, number = {11}, pages = {4714--4721}, posted-at = {2007-10-03 01:21:31}, priority = {0}, publisher = {AIP}, title = {Perturbation Theory and Equation of State for Fluids. II. A Successful Theory of Liquids}, url = {http://dx.doi.org/10.1063/1.1701689}, volume = {47}, year = {1967} }

TY - JOUR ID - citeulike:1721677 L3 - citeulike-article-id:1721677 N2 - The perturbation theory previously shown to give good results for the equation of state of a square-well fluid at liquid densities and temperatures is applied to more realistic potentials with soft repulsion, in particular the 6:12 potential. For an arbitrary potential function a modified potential is defined involving three parameters, namely a hard-sphere diameter, an inverse-steepness parameter for the repulsive region, and a depth parameter for the attractive region. When the latter parameters are zero, the modified potential becomes the hard-sphere potential; when they are one, it becomes the original potential. The configuration integral is expanded in a double-power series in the inverse-steepness and depth parameters, the hard-sphere diameter being chosen so that the first-order term in the inverse-steepness parameter is zero. The first-order term in the depth parameter is evaluated essentially exactly and the second-order term approximately: other second-order terms and all higher-order terms are neglected. The resulting equation of state is in good agreement with molecular dynamics, Monte Carlo results, and experimental data for argon at all temperatures and densities relevant for fluids. ©1968 American Institute of Physics IS - 11 JF - The Journal of Chemical Physics EP - 4721 TI - Perturbation Theory and Equation of State for Fluids. II. A Successful Theory of Liquids PB - AIP VL - 47 SP - 4714 KW - hard KW - perturbation KW - spheres AU - Barker, JA AU - Henderson, D PY - 1967/// UR - http://dx.doi.org/10.1063/1.1701689 ER -