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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388998%3A_____%2F17%3A00468086" target="_blank" >RIV/61388998:_____/17:00468086 - isvavai.cz</a>

Výsledek na webu

<a href="http://ac.els-cdn.com/S0378381216306069/1-s2.0-S0378381216306069-main.pdf?_tid=7b6bf82c-2f22-11e7-8661-00000aab0f02&acdnat=1493721260_17561db239dd867f17c2ad3bda9a5540" target="_blank" >http://ac.els-cdn.com/S0378381216306069/1-s2.0-S0378381216306069-main.pdf?_tid=7b6bf82c-2f22-11e7-8661-00000aab0f02&acdnat=1493721260_17561db239dd867f17c2ad3bda9a5540</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.fluid.2016.12.010" target="_blank" >10.1016/j.fluid.2016.12.010</a>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20303 - Thermodynamics

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2017

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Fluid Phase Equilibria

ISSN

0378-3812

e-ISSN

1879-0224

Svazek periodika

435

Číslo periodika v rámci svazku

March

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

14

Strana od-do

104-117

Kód UT WoS článku

000393260500010

EID výsledku v databázi Scopus

2-s2.0-85007200963