Effects of X (X = H2S, SO2 and N2O) mole fractions on adsorption behavior and phase equilibrium properties of CO2 + X mixed gas hydrate

被引:6
|
作者
Sun, Ningru [1 ]
Li, Yanjun [1 ]
Qiu, Nianxiang [2 ]
Francisco, Joseph S. [3 ,4 ]
Du, Shiyu [2 ,5 ,6 ]
机构
[1] Harbin Engn Univ, Coll Power & Energy Engn, Nantong St, Harbin 150001, Peoples R China
[2] Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Engn Lab Adv Energy Mat, Ningbo 315201, Zhejiang, Peoples R China
[3] Univ Penn, Dept Earth & Environm Sci, Philadelphia, PA 19104 USA
[4] Univ Penn, Dept Chem, Philadelphia, PA 19104 USA
[5] China Univ Petr East China, Sch Mat Sci & Engn, Qingdao 266580, Peoples R China
[6] Milky Way Sustainable Energy Ltd, Zhuhai, Peoples R China
基金
中国国家自然科学基金;
关键词
Gas Hydrate; Phase Equilibrium; GCMC Simulation; Occupancy; HYDRATE FORMATION CONDITIONS; MONTE-CARLO SIMULATIONS; CARBON-DIOXIDE; GAS HYDRATE; MOLECULAR-DYNAMICS; CAGE OCCUPANCY; DISSOCIATION CONDITIONS; CLATHRATE HYDRATE; STORAGE CAPACITY; SULFUR-DIOXIDE;
D O I
10.1016/j.molliq.2023.121661
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
As a remedy for air pollution caused by flue gas, Hydrate Based Gas Separation (HBGS) technology is under development. Among many issues in HBGS, the prediction for the adsorption and dissociation conditions of hydrate and the impact from mixed gas on the formation of carbon dioxide hydrate are crucial to understand the sequestration and separation of CO2. In this work, the occupancy isotherms of the mixed systems of CO2 + H2S, CO2 + SO2 and CO2 + N2O with different mole fractions of H2S, SO2 and N2O in sI and sII hydrates are examined. The results show that X (H2S, SO2 and N2O) in flue gases can increase the absorption of mixed gas; CO2 + H2S in the sI and sII hydrates can be categorized as the one-site Langmuir type. The calculated abundance ratio of CO2 to X vary with the mole fraction of impurity gas and pressure, which provide the prerequisite information for prediction of gas recovery yield at different conditions during the CO2 + X gas separate process. The phase equilibria of clathrate hydrates of mixed gases are predicted and the hydration numbers are determined. The results show that the dissociation pressure of mixed hydrates decreases as the impurity gas mole fraction increases, indicating that SO2, H2S and N2O gases can all promote the formation of CO2 hydrate. Additionally, inspection indicates that the mixed flue gas can be efficiently separate by clathrate hydrate. & COPY; 2023 Published by Elsevier B.V.
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页数:11
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