运用ChemCAD计算氢气在烃类中的溶解度  

Calculation of hydrogen solubility in hydrocarbons by ChemCAD

作　　者：王世丽[1] 刘永刚[1] 张瑞芹[1] 

机构地区：[1]郑州大学化学与分子工程学院,河南郑州458000

出　　处：《现代化工》2013年第5期114-118,共5页Modern Chemical Industry

摘　　要：运用ChemCAD闪蒸分离模块建立模拟流程,考察了8种热力学性质计算模型,结果表明API-SRK、SRK、Peng-Rob-inson 3种方法较适合研究氢气在烃中溶解度的模拟计算。氢气、间二甲苯作为进料流股组分,以进料流股组分流率比例为考察对象,流率比值在2/1～2 664/1可完成闪蒸分离平衡计算。在温度为305.15、353、393、433 K,压力为0.8～5.0 MPa条件下,分别对氢气在间二甲苯、环已烷、苯、环已烷和苯中进行闪蒸平衡分离计算,计算结果为氢气在烃类中溶解度变化规律随温度压力的升高而增大,溶解度计算值与实验值相对偏差在5%以内。以上结果表明,选择合适的热力学性质计算模型和进料流股组分流率比例,运用ChemCAD闪蒸分离模块可准确计算氢气在烃类中溶解度。A simulation model of flash separation unit is established using ChemCAD. Eight thermodynamic methods available in ChemCAD are investigated. The results indicate that API-SRK, SRK and Peng-Robinson are more suitable for calculating hydrogen solubility in hydrocarbons. Using m-xylene and hydrogen as feed stream components, the effect of feed flow ratio on the content of hydrogen in the product streams is studied. The results show that flash balance calculation can be achieved when the flow ratio is between 2/1 and 2664/1. Flash separator model is built to calculate solubility of hydrogen in hydrocarbons, m-xylene, cyclohexane, benzene, and benzene ＋ cyclohexane with the flash separation temperature at 305. 15 K,353 K,393 K and 433 K, respectively, and the pressure range from 8 to 5 MPa. The hydrogen solubility increases linearly with the pressure and the temperature. Simulation results are in good agreement with experimental results. Based on the results of this research, ChemCAD flash separator model can be more accurately calculate hydrogen solubility in hydrocarbons when thermodynamic methods and feed flow ratio are chosen correctly.

关 键 词：氢气 溶解度 CHEMCAD 热力学性质计算模型 组分流率比例 

分 类 号：TP391.9[自动化与计算机技术—计算机应用技术]