%0 Journal Article %1 Kioupis200293 %A Kioupis, Loukas I. %A Arya, Gaurav %A Maginn, Edward J. %D 2002 %J Fluid Phase Equilibria %K 2002 enthalpy equation-of-state molecular pressure properties thermodynamic %N 1 %P 93 - 110 %R 10.1016/S0378-3812(02)00015-8 %T Pressure-enthalpy driven molecular dynamics for thermodynamic property calculation II: applications %U http://dx.doi.org/10.1016/S0378-3812(02)00015-8 %V 200 %X The pressure-enthalpy driven molecular dynamics technique, developed in a companion paper 1, is used to compute various thermodynamic properties for the Lennard–Jones (LJ) fluid. These properties include the vapor–liquid coexistence curve, the critical point, the Joule–Thomson coefficient and inversion curve, and a complete vapor-compression refrigeration (VCR) cycle. The technique provides a simple and effective means of utilizing molecular dynamics to sample different thermodynamic state points. Results are as accurate as those obtained using Monte Carlo (MC) methods.

@article{Kioupis200293, abstract = {The pressure-enthalpy driven molecular dynamics technique, developed in a companion paper [1], is used to compute various thermodynamic properties for the Lennard–Jones (LJ) fluid. These properties include the vapor–liquid coexistence curve, the critical point, the Joule–Thomson coefficient and inversion curve, and a complete vapor-compression refrigeration (VCR) cycle. The technique provides a simple and effective means of utilizing molecular dynamics to sample different thermodynamic state points. Results are as accurate as those obtained using Monte Carlo (MC) methods.}, added-at = {2013-01-03T10:58:43.000+0100}, author = {Kioupis, Loukas I. and Arya, Gaurav and Maginn, Edward J.}, biburl = {https://www.bibsonomy.org/bibtex/23eef06da24ffec2e2f42c187ab23e944/thorade}, description = {ScienceDirect.com - Fluid Phase Equilibria - Pressure-enthalpy driven molecular dynamics for thermodynamic property calculation II: applications}, doi = {10.1016/S0378-3812(02)00015-8}, interhash = {5f4943806ab15971f0da54f09dd70253}, intrahash = {3eef06da24ffec2e2f42c187ab23e944}, issn = {0378-3812}, journal = {Fluid Phase Equilibria}, keywords = {2002 enthalpy equation-of-state molecular pressure properties thermodynamic}, number = 1, pages = {93 - 110}, timestamp = {2013-01-03T10:58:43.000+0100}, title = {Pressure-enthalpy driven molecular dynamics for thermodynamic property calculation II: applications}, url = {http://dx.doi.org/10.1016/S0378-3812(02)00015-8}, volume = 200, year = 2002 }