Model for gas hydrates applied to CCS systems part II. Fitting of parameters for models of hydrates of pure gases

0468086 - ÚT 2022 RIV NL eng J - Journal Article
Vinš, Václav - Jäger, A. - Hrubý, Jan - Span, R.
Model for gas hydrates applied to CCS systems part II. Fitting of parameters for models of hydrates of pure gases.
Fluid Phase Equilibria. Roč. 435, March (2017), s. 104-117. ISSN 0378-3812. E-ISSN 1879-0224
R&D Projects: GA MŠMT(CZ) 7F14466; GA ČR(CZ) GJ15-07129Y
Institutional support: RVO:61388998
Keywords : carbon capture and storage * clathrate * parameter fitting
OECD category: Thermodynamics
Impact factor: 2.197, year: 2017
Method of publishing: Limited access
http://ac.els-cdn.com/S0378381216306069/1-s2.0-S0378381216306069-main.pdf?_tid=7b6bf82c-2f22-11e7-8661-00000aab0f02&acdnat=1493721260_17561db239dd867f17c2ad3bda9a5540

In this study, divided in a series of three articles, the model for pure CO2 hydrate by Jäger et al. (2013) has been improved and extended to other gases relevant in Carbon Capture and Storage (CCS) applications. The new model based on the van der Waals and Platteeuw approach is combined with highly accurate equations of state. In this article (part II), the new hydrate model is described. A multi-property fitting algorithm is presented, which allows for simultaneous fitting of the model parameters to hydrate phase equilibrium data and to various types of hydrate composition data. Kihara potential parameters and reference parameters of the hydrate model were evaluated for eight selected hydrate formers. Experimental data used as an input to the fitting algorithm were weighted using uncertainty estimates. New ad-hoc approaches were developed in order to estimate the uncertainties of chemical potential along the three-phase coexistence lines and the uncertainties of composition data.
Permanent Link: http://hdl.handle.net/11104/0271400