Theoretical analysis of hydrogen solubility in direct coal liquefaction solvents
作者机构：State Key Laboratory of Clean and Efficient Coal UtilizationTaiyuan University of TechnologyTaiyuan 030024ShanxiChina College of Chemical Engineering and TechnologyTaiyuan University of TechnologyTaiyuan 030024China
出 版 物：《International Journal of Coal Science & Technology》 (国际煤炭科学技术学报（英文）)
年 卷 期：2024年第11卷第2期
页 面：187-197页
核心收录：
学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学]
基 金：the financial support from the National Key Research and Development Program of China(2022YFB4101302-01) the National Natural Science Foundation of China(22178243) the science and technology innovation project of China Shenhua Coal to Liquid and Chemical Company Limited(MZYHG-22–02)
主 题：Direct coal liquefaction Liquefaction solvents Process simulation Hydrogen solubility
摘 要：The cyclic hydrogenation technology in a direct coal liquefaction process relies on the dissolved hydrogen of the solvent or oil participating in the hydrogenation ***,a theoretical basis for process optimization and reactor design can be established by analyzing the solubility of hydrogen in liquefaction *** studies of hydrogen solubility in liquefaction solvents are challenging due to harsh reaction conditions and complex solvent *** this study,the composition and content of liquefied solvents were *** model compounds,hexadecane,toluene,naphthalene,tetrahydronaphthalene,and phenanthrene were chosen to represent the liquefied solvents in chain alkanes and monocyclic,bicyclic,and tricyclic aromatic *** solubility of hydrogen X(mol/mol)in pure solvent components and mixed solvents(alkanes and aromatics mixed in proportion to the chain alkanes+bicyclic aromatic hydrocarbons,bicyclic saturated aromatic hydrocarbons+bicyclic aromatic hydrocarbons,and bicyclic aromatic hydrocarbons+compounds containing het-eroatoms composed of mixed components)are determined using Aspen simulation at temperature and pressure conditions of 373–523 K and 2–10 *** results demonstrated that at high temperatures and pressures,the solubility of hydrogen in the solvent increases with the increase in temperature and pressure,with the pressure having a greater ***-more,the results revealed that hydrogen is more soluble in straight-chain alkanes than in other solvents,and the solubility of eicosanoids reaches a maximum of *** hydrogen solubility in aromatic ring compounds decreased gradually with an increase in the aromatic ring *** influence of chain alkanes on the solubility of hydrogen predominates in a mixture of solvents with different mixing ratios of chain alkanes and aromatic *** solubility of hydrogen in mixed aromatic solvents is less than that in the corresponding single ***
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