TY - JOUR A2 - Lee, Jae AU - Lucia, Angelo PY - 2010 DA - 2009/11/17 TI - A MultiScale Gibbs-Helmholtz Constrained Cubic Equation of State SP - 238365 VL - 2010 AB - This paper presents a radically new approach to cubic equations of state (EOS) in which the Gibbs-Helmholtz equation is used to constrain the attraction or energy parameter, a. The resulting expressions for a(T,p) for pure components and a(T,p,x) for mixtures contain internal energy departure functions and completely avoid the need to use empirical expressions like the Soave alpha function. Our approach also provides a novel and thermodynamically rigorous mixing rule for a(T,p,x). When the internal energy departure function is computed using Monte Carlo or molecular dynamics simulations as a function of current bulk phase conditions, the resulting EOS is a multiscale equation of state. The proposed new Gibbs-Helmholtz constrained (GHC) cubic equation of state is used to predict liquid densities at high pressure and validated using experimental data from literature. Numerical results clearly show that the GHC EOS provides fast and accurate computation of liquid densities at high pressure, which are needed in the determination of gas hydrate equilibria. SN - 1687-9244 UR - https://doi.org/10.1155/2010/238365 DO - 10.1155/2010/238365 JF - Journal of Thermodynamics PB - Hindawi Publishing Corporation KW - ER -