PREDICTION MODEL FOR HYDROGEN SOLUBILITY IN DIESEL BASED ON PR EQUATION OF STATE

Abstract

Abstract: A hydrogen solubility prediction model based on the Peng-Robinson equation of state (PR EOS) was established. The experimental data of hydrogen solubility of typical diesel compounds were collected from literature. The PR EOS binary interaction parameters between hydrogen and typical model compounds were regressed from experimental data. An empirical correlation was built between the binary interaction parameters and the key properties of molecules. Based on the developed model，the hydrogen solubilities in typical model compounds and diesel oil products were predicted，and the average relative errors of hydrogen solubility in straight-chain alkanes，cycloalkanes and aromatic hydrocarbons were 4.45%，11.84%，8.50%，respectively. The hydrogen solubilities in several diesel samples at different temperatures and pressures were predicted with a good agreement between predicted and measured values were observed，showing the validity of the developed model.

Key words: hydrogen, solubility, diesel, PR EOS, binary interaction parameters

CLC Number:

References

[1] 洪定一. 2012年我国石油化工行业进展及展望. 化工进展[J], 2013,32: 481-500.
[2] 胡俊利, 王高杰. 催化柴油加氢改质技术研究进展. 石化技术与应用[J], 2016,34: 346-348.
[3] 汪加海. 预硫化态催化剂在柴油加氢改质装置上的应用. 当代化工[J], 2014,43: 460-463.
[4] Brunner, Erwin. Solubility of hydrogen in 10 organic solvents at 298.15, 323.15, and 373.15 K. Erwin Brunner[J], 2002.
[5] Park J, Robinson R L, Gasem K A M. Solubilities of Hydrogen in Heavy Normal Paraffins at Temperatures from 323.2 to 423.2 K and Pressures to 17.4 MPa. Journal of Chemical & Engineering Data[J], 1995,40.
[6] Park J, Robinson R L, Gasem K A M. Solubilities of Hydrogen in Aromatic Hydrocarbons from 323 to 433 K and Pressures to 21.7 MPa. Journal of Chemical & Engineering Data[J], 1996,41: 70-73.
[7] 罗化峰, 郭剑虹, 凌开成,等.氢气在烃类混合溶剂中高压溶解度的测定. 煤炭转化[J], 034: 55-58,68.
[8] 王世丽, 翟康, 张瑞芹,等. 氢气在柴油中溶解度的测定与模拟计算. 化工进展[J], 2013,32: 2049-2055.
[9] 王永恒. 氢气在柴油中平衡溶解度的研究 [M]. 华东理工大学2016.
[10] 王永恒, 翁惠新. 柴油烃类组成对氢气在柴油中平衡溶解度的关联计算. 石油化工[J], 2015,44: 1344-1350.
[11] 刘晨光, 阙国和. 氢气在石油馏分中溶解度的测定. 炼油设计[J], 1999: 33-36.
[12] Aguilar-Cisneros H, Carreón-Calderón B, Uribe-Vargas V,et al. Predictive method of hydrogen solubility in heavy petroleum fractions using EOS/G E and group contributions methods. Fuel[J], 2018,224.
[13] Peng D-y, Robinson D. New Two-Constant Equation of State. Industrial & Engineering Chemistry Fundamentals[J], 1976,15.
[14] 王彩杰, 马守涛, 程振民. PR状态方程二元相互作用参数的拟合及对柴油中氢气溶解度的预测. 计算机与应用化学[J]: 46-50.
[15] Qian J W, Jaubert J-N l, Privat R. Phase equilibria in hydrogen-containing binary systems modeled with the Peng–Robinson equation of state and temperature-dependent binary interaction parameters calculated through a group-contribution method. Journal of Supercritical Fluids[J], 75: 58-71.
[16] 杨彦琳. 高效液相色谱分析柴油烃族组成的应用. 广州化工[J], 1998: 47-50.
[17] Herskowitz M, Wisniak J, Skladman L. Hydrogen solubility in organic liquids. Journal of Chemical & Engineering Data[J], 28: 164-166.
[18] Peter S, Reinhartz K. Das Phasengleichgewicht in den Systemen H2—n-Heptan, H2-Methylcyclohexan und H2—2,2,4-Trimethylpentan bei h?heren Drucken und Temperaturen. 1960,24: 103.
[19] Gao W, Jr R, Gasem K. High-Pressure Solubilities of Hydrogen, Nitrogen, and Carbon Monoxide in Dodecane from 344 to 410 K at Pressures to 13.2 MPa. Journal of Chemical and Engineering Data[J], 1999,44.
[20] Yin J Z, Tan C S. Solubility of hydrogen in toluene for the ternary system H 2 + CO 2 + toluene from 305 to 343 K and 1.2 to 10.5 MPa. Fluid Phase Equilibria[J], 2006,242: 111-117.
[21] Malone P V, Kobayashi R. Light gas solubility in phenanthrene: the hydrogen—phenanthrene and methane—phenanthrene systems. Fluid Phase Equilibria[J], 1990,55: 193–205.
[22] Simnick J J, Lawson C C, Lin H M,et al. Vapor-liquid equilibrium of hydrogen/tetralin system at elevated temperatures and pressures. AIChE Journal[J], 1977,23: 469-476.
[23] 王世丽. 柴油液相加氢原料油中氢气及相关气体溶解度研究 [M]. 郑州大学2013.