H2 solubility and mass transfer in anthraquinone working solution: Experimental and modeling study

doi:10.1016/j.cjche.2016.10.001

Abstract

Abstract: Thisworkwas focused on the measurement of the solubility of hydrogen (H₂) in anthraquinoneworking solution at temperatures of 30.0-80.0℃ and pressures of 0.2-3.0 MPa by the method of experimental and COSMO-RS model study. The influence of various factors, i.e., including pressure, temperature and solvent volume ratio, on H₂ solubility was investigated. According to the experimental results, H₂ solubility in anthraquinone working solution increases with the increase of pressure. At low pressures, the temperature had little effect on H₂ solubility while under high pressures H₂ solubility increases with increasing temperature. Henry's constant ln_H has a good linear relationship with 1/_T (ln_H=-1319.1/_T+9.91). The effect of volume ratio of trioctyl phosphate to trimethylbenzene on the solubility of hydrogen was studied and the results showed that increasing the amount of trimethylbenzene was conducive to the dissolution of hydrogen. In addition, there is a linear relationship between ln((P₀-P_e)/(P_t-P_e)) and the time t. Gas-liquid mass transfer coefficient was obtained by calculating the slope of the line.

Key words: Hydrogen, Solubility, Anthraquinone working solution, Trimethylbenzene, COSMO-RS model, Mass transfer

摘要： Thisworkwas focused on the measurement of the solubility of hydrogen (H₂) in anthraquinoneworking solution at temperatures of 30.0-80.0℃ and pressures of 0.2-3.0 MPa by the method of experimental and COSMO-RS model study. The influence of various factors, i.e., including pressure, temperature and solvent volume ratio, on H₂ solubility was investigated. According to the experimental results, H₂ solubility in anthraquinone working solution increases with the increase of pressure. At low pressures, the temperature had little effect on H₂ solubility while under high pressures H₂ solubility increases with increasing temperature. Henry's constant ln_H has a good linear relationship with 1/_T (ln_H=-1319.1/_T+9.91). The effect of volume ratio of trioctyl phosphate to trimethylbenzene on the solubility of hydrogen was studied and the results showed that increasing the amount of trimethylbenzene was conducive to the dissolution of hydrogen. In addition, there is a linear relationship between ln((P₀-P_e)/(P_t-P_e)) and the time t. Gas-liquid mass transfer coefficient was obtained by calculating the slope of the line.

关键词: Hydrogen, Solubility, Anthraquinone working solution, Trimethylbenzene, COSMO-RS model, Mass transfer

Zhigang Lei, Yaru Guo, Yanyan Guo, Xinxin Li, Chengna Dai. H₂ solubility and mass transfer in anthraquinone working solution: Experimental and modeling study[J]. , 2017, 25(2): 143-148.

References

[1] J.L. Colodette, S. Rothenberg, C.W. Dence, Factors effecting hydrogen peroxide stability in the brightening of mechanical and chemimechanical pulps, J. Pulp Pap. Sci. 15(1989) 3-10.
[2] M. Sulieman, M. Addy, E. MacDonald, J.S. Rees, The effect of hydrogen peroxide concentration on the outcome of tooth whitening:An in vitro study, J. Dent. 32(2004) 295-299.
[3] F. Sudur, B. Pleskowicz, N. Orbey, Hydrogen peroxide stability in silica hydrogels, Ind. Eng. Chem. Res. 54(2015) 1930-1940.
[4] W. Song, J. Li, J.L. Liu,W.J. Shen, Production of hydrogen peroxide by the reaction of hydroxylamine and molecular oxygen over activated carbons, Catal. Commun. 9(2008) 831-836.
[5] J.G. Zhang, D.F. Li, Y.J. Zhao, Q.D. Kong, S.D. Wang, A Pd/Al₂O₃/cordierite monolithic catalyst for hydrogenation of 2-ethylanthraquinone, Catal. Commun. 9(2008) 2565-2569.
[6] A. Drehnkiewicz, Deep hydrogenation of 2-ethylanthraquinone over Pd/SiO₂ catalyst in the liquid phase, J. Mol. Catal. 75(1992) 321-331.
[7] H. Li, M. Han, X. Gao, X. Li, Isobaric vapor-liquid equilibrium for binary system of cinnamaldehyde + benzaldehyde at 10, 20 and 30 kPa, Fluid Phase Equilib. 364(2014) 62-66.
[8] H. Li, Y. Wu, X. Li, X. Gao, State-of-the-art of advanced distillation technologies in China, Chem. Eng. Technol. 39(2016) 815-833.
[9] H.M. Sebastian, H.M. Lin, K.C. Chao, Correlation of solubility of hydrogen in hydrocarbon solvents, AIChE J 27(1981) 138-148.
[10] B.A. Schofield, Z.E. Ring, R.W. Missen, Solubility of hydrogen in a white oil, Can. J. Chem. Eng. 70(1992) 822-824.
[11] M. Saajanlehto, P. Uusi-Kyyny, V. Alopaeus, Hydrogen solubility in heavy oil systems:Experiments and modeling, Fuel 137(2014) 393-404.
[12] D. Ronze, P. Fongarland, I. Pitault, M. Forissier, Hydrogen solubility in straight run gasoil, Chem. Eng. Sci. 57(2002) 547-553.
[13] Z. Zhou, Z. Cheng, D. Yang, X. Zhou, W. Yuan, Solubility of hydrogen in pyrolysis gasoline, J. Chem. Eng. Data 51(2006) 972-976.
[14] A. Klamt, Conductor-like screening model for real solvents:A new approach to the quantitative calculation of solvation phenomena, J. Phys. Chem. 99(1995) 2224-2235.
[15] A. Klamt, F. Eckert, COSMO-RS:A novel and efficient method for the a priori prediction of thermophysical data of liquids, Fluid Phase Equilib. 172(2000) 43-72.
[16] F. Eckert, A. Klamt, Validation of the COSMO-RS method:Six binary systems, Ind. Eng. Chem. Res. 40(2001) 2371-2378.
[17] S.T. Lin, J. Chang, S. Wang, W.A. Goddard, S.I. Sandler, Prediction of vapor pressures and enthalpies of vaporization using a COSMO solvation model, J. Phys. Chem. A 108(2004) 7429-7439.
[18] A. Klamt, COSMOS-RS:From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design, Elsevier, 2005.
[19] C.F. Eckert, A. Klamt, Version C.2.1, Release 01.05, COSMOlogic GmbH & Co. KG, Leverkuse., Germany, 2005.
[20] A. Klamt, F. Eckert, M. Diedenhofen, Prediction or partition coefficients and activity coefficients of two branched compounds using COSMOtherm, Fluid Phase Equilib. 285(2009) 15-18.
[21] V.R. Ferro, E. Ruiz, M. Tobajas, J.F. Palomar, Integration of COSMO-based methodologies into commercial process simulators:Separation and purification of reuterin, AIChE J 58(2012) 3404-3415.
[22] C.F. Eckert, A. Klamt, COSMOthermCO-C21-0111, COSMOlogic Gmbh & Co. KG, Leverkusen, 2010.
[23] C.C. Pye, T. Ziegler, E. van Lenthe, J.N. Louwen, An implementation of the conductorlike screeningmodel of solvation within the Amsterdamdensity functional package. Part II. COSMO for real solvents, Can. J. Chem. 87(2009) 790-797.
[24] A. Klamt, F. Eckert, M. Diedenhofen, M.E. Beck, First principles calculations of aqueous pKa values for organic and inorganic acids using COSMO-RS reveal an inconsistency in the slope of the pKa, J. Phys. Chem. A 107(2003) 9380-9386.
[25] Z. Lei, C. Dai, B. Chen, Gas solubility in ionic liquids, Chem. Rev. 114(2014) 1289-1326.
[26] E. Brunner, Solubility of hydrogen in 10 organic solvents at 298.15, 323.15, and 373.15 K, J. Chem. Eng. Data 30(1985) 269-273.
[27] Z. Lei, Y. Guo, L. Zhao, C. Dai, B. Chen, X. Fang, H₂ solubility and mass transfer in diesel:An experimental and modeling study, Energy Fuel 30(2016) 6257-6263.
[28] A. Sharma, C. Julcour, A.A. Kelkar, R.M. Deshpande, H. Delmas, Mass transfer and solubility of CO and H₂ in ionic liquid. Case of[Bmim] [PF₆] with gas-inducing stirrer reactor, Ind. Eng. Chem. Res. 48(2009) 4075-4082.
[29] M. Teramoto, S. Tai, K. Nishii, H. Teranishi, Effects of pressure on liquid-phase mass transfer coefficients, J. Chem. Eng. 8(1974) 223-226.
[30] Z. Lei, C. Dai, Q. Yang, J. Zhu, B. Chen, UNIFAC model for ionic liquid-CO (H₂) systems:An experimental and modeling study on gas solubility, AIChE J. 60(2014) 4222-4231.
[31] P.G.T. Fogg, W. Gerrard, Solubility of Gases in Liquids:A Critical Evaluation of Gas/Liquid Systems in Theory and Practice, John Wiley & Sons, Inc., New York, 1991.

H₂ solubility and mass transfer in anthraquinone working solution: Experimental and modeling study

H₂ solubility and mass transfer in anthraquinone working solution: Experimental and modeling study

PDF (PC)

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Recommended Articles

Metrics

Comments

[1]	Jingzhou Guo, Yuanzuo Zou, Bo Shi, Yuan Pu, Jiexin Wang, Dan Wang, Jianfeng Chen. Experimental verification of nanonization enhanced solubility for poorly soluble optoelectronic molecules [J]. Chinese Journal of Chemical Engineering, 2023, 60(8): 8-15.
[2]	Bo Yu, Guang Fu, Xinpei Li, Libo Zhang, Jing Li, Hongtao Qu, Dongbin Wang, Qingfeng Dong, Mengmeng Zhang. Arsenic removal from acidic industrial wastewater by ultrasonic activated phosphorus pentasulfide [J]. Chinese Journal of Chemical Engineering, 2023, 60(8): 46-52.
[3]	Xingjuan Liang, Dehua Xu, Zhengjuan Yan, Jingxu Yang, Xinlong Wang, Zhiye Zhang, Jingli Wu, Honggang Zhen. Solid-liquid phase equilibrium for the system ammonium polyphosphate-urea ammonium nitrate-potassium chloride-water at 273.2 K [J]. Chinese Journal of Chemical Engineering, 2023, 60(8): 131-142.
[4]	Peipei Ai, Huiqing Jin, Jie Li, Xiaodong Wang, Wei Huang. Ultra-stable Cu-based catalyst for dimethyl oxalate hydrogenation to ethylene glycol [J]. Chinese Journal of Chemical Engineering, 2023, 60(8): 186-193.
[5]	Xiaolin Guo, Zhaoyang Zhang, Pengfei Xing, Shuai Wang, Yibing Guo, Yanxin Zhuang. Kinetic mechanism of copper extraction from methylchlorosilane slurry residue using hydrogen peroxide as oxidant [J]. Chinese Journal of Chemical Engineering, 2023, 60(8): 228-234.
[6]	Huiqi Wang, Jianpo Ren, Shihao Zhang, Jiayu Dai, Yue Niu, Ketao Shi, Qiuxiang Yin, Ling Zhou. Measurement and correlation of solubility of 9-fluorenone in 11 pure organic solvents from T = 283.15 to 323.15 K [J]. Chinese Journal of Chemical Engineering, 2023, 60(8): 235-241.
[7]	Anjun Liu, Jie Chen, Meng Guo, Chengmin Chen, Meihong Yang, Chao Yang. The internal circulations on internal mass transfer rate of a single drop in nonlinear uniaxial extensional flow [J]. Chinese Journal of Chemical Engineering, 2023, 59(7): 51-60.
[8]	Wen Yu, Yiyang Bo, Yiling Luo, Xiyan Huang, Rixiang Zhang, Jiaheng Zhang. Enhancing effect of choline chloride-based deep eutectic solvents with polyols on the aqueous solubility of curcumin-insight from experiment and theoretical calculation [J]. Chinese Journal of Chemical Engineering, 2023, 59(7): 160-168.
[9]	Hae-Kyun Park, Dong-Hyuk Park, Bum-Jin Chung. Influence of the electrolyte conductivity on the critical current density and the breakdown voltage [J]. Chinese Journal of Chemical Engineering, 2023, 59(7): 169-175.
[10]	Zhonghao Li, Yuanyuan Yang, Huanong Cheng, Yun Teng, Chao Li, Kangkang Li, Zhou Feng, Hongwei Jin, Xinshun Tan, Shiqing Zheng. Measurement and model of density, viscosity, and hydrogen sulfide solubility in ferric chloride/trioctylmethylammonium chloride ionic liquid [J]. Chinese Journal of Chemical Engineering, 2023, 59(7): 210-221.
[11]	Qunfeng Zhang, Bingcheng Li, Yuan Zhou, Deshuo Zhang, Chunshan Lu, Feng Feng, Jinghui Lv, Qingtao Wang, Xiaonian Li. Regulation of the selective hydrogenation performance of sulfur-doped carbon-supported palladium on chloronitrobenzene [J]. Chinese Journal of Chemical Engineering, 2023, 58(6): 69-75.
[12]	Yun-Zhang Liu, Lu-Yao Zhang, Dan He, Li-Zhen Chen, Zi-Shuai Xu, Jian-Long Wang. Solubility measurement, correlation and thermodynamic properties of 2, 3, 4-trichloro-1, 5-dinitrobenzene in fifteen mono-solvents at temperatures from 278.15 to 323.15 K [J]. Chinese Journal of Chemical Engineering, 2023, 58(6): 224-233.
[13]	Bin Gao, Junwen Chen, Qi Zuo, Hongyan Wang, Wenlin Li. The critical role of Zr in controlling the activity of Pd/Beta on the hydrogenation of phenol to cyclohexanone [J]. Chinese Journal of Chemical Engineering, 2023, 57(5): 79-87.
[14]	Yunchang Fan, Chunyan Zhu, Sheli Zhang, Lei Zhang, Qiang Wang, Feng Wang. Efficient and selective extraction of sinomenine by deep eutectic solvents [J]. Chinese Journal of Chemical Engineering, 2023, 57(5): 109-117.
[15]	Qi Yang, Weikang Dai, Maoshuai Li, Jie Wei, Yi Feng, Cheng Yang, Wanxin Yang, Ying Zheng, Jie Ding, Mei-Yan Wang, Xinbin Ma. Enhanced selective hydrogenation of glycolaldehyde to ethylene glycol over Cu⁰-Cu⁺ sites [J]. Chinese Journal of Chemical Engineering, 2023, 57(5): 141-150.