Three-component 1,1,3,3-tetramethylguanidine based CO2-binding organic liquids: Statistical solvent design and thermodynamic modeling of CO2 solubility by LJ-Global TPT2 EoS

Due to decarbonization issues, there is growing concern about greenhouse gases, especially carbon dioxide (CO 2 ). Gas hydrate research is a potential solution to energy needs and CO 2 storage tasks. Naturally occurring methane hydrates provide natural gas availability, while CO 2 hydrates are also receiving widespread attention for carbon capture, storage, and pipeline flow assurance. This study measured the thermodynamic equilibrium temperatures and pressures at the dissociation points for CO 2 hydrate mixtures containing various additives. These results provide fundamental data on the thermodynamic phase boundaries of CO 2 hydrate mixtures where three phases of hydrate (H), liquid water (L w ), and vapor (V) coexisted. The equilibrium conditions for CO 2 with pure water and various additives including 2-methoxyethyl ether (0.20 and 0.30 mass fractions), 1,1,3,3-tetramethylguanidine (0.20 and 0.30 mass fractions), 4methylmorpholine (0.10 and 0.20 mass fractions), 1-ethyl-3-methylimidazolium chloride (0.10, 0.20, and 0.30 mass fractions), urea (0.10, 0.20, and 0.30 mass fractions), and 1,3-cyclohexanebis(methylamine) (0.10 and 0.20 mass fractions) were experimentally measured in the pressure range of 1.54−3.58 MPa using the isochoric and temperature cycling method. These additives all had an inhibition effect on the formation of CO 2 hydrates, and the maximum average inhibition effect of each additive on the equilibrium temperature ranged from 5 to 11 K. To simulate seawater conditions, equilibrium conditions for CO 2 hydrate mixtures with three of these additives are also reported. The Clausius−Clapeyron equation was used to estimate possible hydrate structures. The results show that the CO 2 hydrate mixtures exhibited possible sI structures after adding each additive in this study.

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Three-component 1,1,3,3-tetramethylguanidine based CO2-binding organic liquids: Statistical solvent design and thermodynamic modeling of CO2 solubility by LJ-Global TPT2 EoS

Cited by 3 publications

References 49 publications

Fine-Tuning the CO2 capture performance of novel CO2-binding organic liquids by a combined experimental-molecular modeling approach

Fine-Tuning the CO2 capture performance of novel CO2-binding organic liquids by a combined experimental-molecular modeling approach

Three-component CO2 binding organic liquids for efficient and reversible CO2 capture: Effect of molar ratio of component on mechanism

Experimental Measurements for Equilibrium Conditions of Carbon Dioxide Hydrate Mixtures with Each Additive of 2-Methoxyethyl Ether, 1,1,3,3-Tetramethylguanidine, 4-Methylmorpholine, 1-Ethyl-3-Methylimidazolium Chloride, Urea, and 1,3-Cyclohexanebis(methylamine)

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