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Model for gas hydrates applied to CCS systems part II. Fitting of parameters for models of hydrates of pure gases
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SYSNO ASEP 0468086 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Model for gas hydrates applied to CCS systems part II. Fitting of parameters for models of hydrates of pure gases Author(s) Vinš, Václav (UT-L) RID, ORCID
Jäger, A. (DE)
Hrubý, Jan (UT-L) RID, ORCID
Span, R. (DE)Number of authors 4 Source Title Fluid Phase Equilibria. - : Elsevier - ISSN 0378-3812
Roč. 435, March (2017), s. 104-117Number of pages 14 s. Publication form Print - P Language eng - English Country NL - Netherlands Keywords carbon capture and storage ; clathrate ; parameter fitting Subject RIV BJ - Thermodynamics OECD category Thermodynamics R&D Projects 7F14466 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) GJ15-07129Y GA ČR - Czech Science Foundation (CSF) Method of publishing Limited access Institutional support UT-L - RVO:61388998 UT WOS 000393260500010 EID SCOPUS 85007200963 DOI 10.1016/j.fluid.2016.12.010 Annotation 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. Workplace Institute of Thermomechanics Contact Marie Kajprová, kajprova@it.cas.cz, Tel.: 266 053 154 ; Jana Lahovská, jaja@it.cas.cz, Tel.: 266 053 823 Year of Publishing 2022 Electronic address http://ac.els-cdn.com/S0378381216306069/1-s2.0-S0378381216306069-main.pdf?_tid=7b6bf82c-2f22-11e7-8661-00000aab0f02&acdnat=1493721260_17561db239dd867f17c2ad3bda9a5540
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