[期刊论文][research article]


Solubility of Carbon Dioxide, Hydrogen Sulfide, Methane, and Nitrogen in Monoethylene Glycol; Experiments and Molecular Simulation

作   者:
Noura Dawass;Ricardo R. Wanderley;Mahinder Ramdin;Othonas A. Moultos;Hanna K. Knuutila;Thijs J. H. Vlugt;

出版年:2021

页     码:524 - 534
出版社:American Chemical Society


摘   要:

Knowledge on the solubility of gases,especially carbon dioxide(CO2), in monoethylene glycol (MEG) is relevant for a numberof industrial applications such as separation processes and gas hydrateprevention. In this study, the solubility of CO2 in MEGwas measured experimentally at temperatures of 333.15, 353.15, and373.15 K. Experimental data were used to validate Monte Carlo (MC)simulations. Continuous fractional component MC simulations in theosmotic ensemble were performed to compute the solubility of CO2 in MEG at the same temperatures and at pressures up to 10bar. MC simulations were also used to study the solubility of methane(CH4), hydrogen sulfide (H2S), and nitrogen(N2) in MEG at 373.15 K. Solubilities from experimentsand simulations are in good agreement at low pressures, but deviationswere observed at high pressures. Henry coefficients were also computedusing MC simulations and compared to experimental values. The orderof solubilities of the gases in MEG at 373.15 K was computed as H2S > CO2 > CH4 > N2. Forcefield modifications may be required to improve the prediction of solubilitiesof gases in MEG at high pressures and low temperatures.



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所属期刊
Journal of Chemical And Engineering Data
ISSN: 0021-9568
来自:American Chemical Society