H2 Solubility and Mass Transfer in Diesel: An Experimental and Modeling Study

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• 作者：Zhigang Lei ; Yanyan Guo ; Lu Zhao ; Chengna Dai ; Biaohua Chen ; Xiangchen Fang
• 刊名：Energy & Fuels
• 出版年：2016
• 出版时间：August 18, 2016
• 年：2016
• 卷：30
• 期：8
• 页码：6257-6263
• 全文大小：431K
• 年卷期：0
• ISSN：1520-5029

文摘

In this work, the solubility and liquid-phase mass transfer coefficient of hydrogen (H₂) in catalytic diesel at temperatures (353.2–453.2 K) and pressures (1–6 MPa) were measured experimentally. The solubility increases with the increase of pressure and temperature, and the Henry’s constant follows the relation of ln H (MPa) = 2447.02/T (K) – 0.11 with temperature. The molar fraction of H₂ and system pressure at different equilibrium time were measured to estimate the liquid-phase mass transfer coefficient, and the results showed that with the increase of pressure the mass transfer coefficient increases. Furthermore, the solubility of H₂ in diesel was predicted by the COSMO-RS model using six virtual model compounds. Both the experimental data and predicted values agree well. Then, the solubility of H₂ in several hydrocarbon components with the same carbon atom but different ratios of C to H atoms was also predicted, and the results showed that the solubility decreases with the increase of the degree of unsaturation for hydrocarbons. Moreover, the H₂ solubility behavior in catalytic diesel was further explained from a molecular point of view by means of the COSMO-RS model.