Thermodynamic properties of gas hydrates

Constant pressure Gibbs ensemble Monte Carlo simulations for the prediction of structure I gas hydrate occupancy

“…From the work of van der Waals and Platteeuw et al (1958) and Parrish and Prausnitz (1972) the criterion for gas hydrate equilibrium is defined as…”

“…Many modifications and models based on vdW-P theory (van der Waals and Platteeuw et al, 1958) have been developed over the last fifty plus years. An expanded derivation of the model and comprehensive survey of the relevant hydrate literature can be found in the text book by Sloan and Koh (2007).…”

Hydrate Formation and Decomposition of CH4 and N2 in Ordered Mesoporous Carbon CMK-3 in the Presence of Tetrahydrofuran

“…The sI hydrate formation enthalpy is −60.9 kJ/mol. 21 The decomposition enthalpy of CH 4 hydrate at point a is 65.88 kJ/mol, which can be calculated from the slope of line 3, which is quite close to the transition enthalpy from sII into sI hydrate whose value is close to the formation enthalpy difference of type II and type I. This may prove that part of the sII hydrates transformed into sI hydrates.…”

Application of the cubic-plus-association (CPA) equation of state to model the fluid phase behaviour of binary mixtures of water and tetrahydrofuran

“…In such models, an accurate description of both the water activity in the liquid phase and the fugacity of THF is of great importance, as these are key factors, that play important roles in gas hydrate models such as e.g. the van der Waals-Platteeuw gas clathrate hydrate model [32]. The development of such a model in order to enable thermodynamic evaluations of gas separation processes based on gas hydrate formation is also the main motivator behind this work.…”

“…The model was combined with the van der Waals-Platteeuw gas clathrate hydrate model [32] in order to model phase boundaries of the solid hydrate phase formed in aqueous THF mixtures in contact with methane. No fluid phase modelling results were presented.…”