An insight into the role of the association equations of states in gas hydrate modeling: a review
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REVIEW
An insight into the role of the association equations of states in gas hydrate modeling: a review Feridun Esmaeilzadeh1 · Nazanin Hamedi1 · Dornaz Karimipourfard1 · Ali Rasoolzadeh1 Received: 18 December 2019 © The Author(s) 2020
Abstract Encouraged by the wide spectrum of novel applications of gas hydrates, e.g., energy recovery, gas separation, gas storage, gas transportation, water desalination, and hydrogen hydrate as a green energy resource, as well as CO2 capturing, many scientists have focused their attention on investigating this important phenomenon. Of course, from an engineering viewpoint, the mathematical modeling of gas hydrates is of paramount importance, as anticipation of gas hydrate stability conditions is effective in the design and control of industrial processes. Overall, the thermodynamic modeling of gas hydrate can be tackled as an equilibration of three phases, i.e., liquid, gas, and solid hydrate. The inseparable component in all hydrate systems, water, is highly polar and non-ideal, necessitating the use of more advanced equation of states (EoSs) that take into account more intermolecular forces for thermodynamic modeling of these systems. Motivated by the ever-increasing number of publications on this topic, this study aims to review the application of associating EoSs for the thermodynamic modeling of gas hydrates. Three most important hydrate-based models available in the literature including the van der Waals–Platteeuw (vdW–P) model, Chen–Guo model, and Klauda–Sandler model coupled with CPA and SAFT EoSs were investigated and compared with cubic EoSs. It was concluded that the CPA and SAFT EoSs gave very accurate results for hydrate systems as they take into account the association interactions, which are very crucial in gas hydrate systems in which water, methanol, glycols, and other types of associating compounds are available. Moreover, it was concluded that the CPA EoS is easier to use than the SAFT-type EoSs and our suggestion for the gas hydrate systems is the CPA EoS. Keywords Hydrate · Mathematical modeling · Equation of state · SAFT · CPA · Association EoS Abbreviations PR Peng–Robinson PT Patel–Teja ANNs Artificial neural networks ANFIS Adaptive neuro-fuzzy inference system vdW–P Van der Waals and Platteeuw PRSV2 Stryjek and Vera modification of Peng–Robinson BiMSA Binding mean spherical approximation NRTL Non-random two-liquid
Edited by Xiu-Qiu Peng * Feridun Esmaeilzadeh [email protected] 1
Department of Chemical Engineering, School of Chemical and Petroleum Engineering, Shiraz University, Shiraz 71345, Iran
List of symbols Aid Free energy of an ideal gas Ahs Free energy of a hard-sphere fluid relative to the ideal gas Achain Free energy when chains are formed from hard spheres disp A Contributions to the free energy of dispersion Aassoc Contributions to the free energy of association 𝜌n Total number density of molecules in solution dii Hard sphere diameter of segment i 𝜎ii Soft sphere diameter of segment i 𝜀ii Energy parameter 𝜎ij Cros
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