A thermodynamic model for structure‐H hydrates

Abstract

Abstract A statistical thermodynamics model based on the original work of van der Waals and Platteeuw is presented for structure‐H hydrates. The model is an extension of the hydrate prediction method generalized by Parrish and Prausnitz for structure‐I and‐II hydrates. Four structure‐H‐forming systems, methane+ adamantane, methane+ neohexane, methane+isopentane, and methane+methylcyclohexane, were considered. Optimized Kihara core parameters are presented for each of the large hydrocarbon guest molecules. The optimized reference chemical potential difference and reference enthalpy difference for structure‐H hydrates are also presented. The results show good agreement with the experimentally determined phase‐equilibria conditions. A sensitivity analysis is presented for the parameters in the model, and their relative order of influence on the accurate evaluation of the quilibrium pressure is determined.