摘要
选取Peng-Robinson(PR)方程与perturbed-chain SAFT(PC-SAFT)方程,采用单流体混合规则,重点考察了在费托合成工艺条件下的小分子气体(CO,H2,CO2,N2,CH4和C2H6)与高碳烷烃(C20,C28和C36)体系的气液相平衡.结果发现,在对不同碳数高碳烷烃溶剂采用单一交互作用参数时,PC-SAFT与PR方程计算的液相浓度与实验值的总平均偏差分别为1.39%与1.98%.而不考虑交互作用参数时,其误差分别为25.18%与16.195%.对各系统的交互作用参数进行了研究,结果表明,随温度和烷烃碳数的升高,PC-SAFT方程的交互作用参数缓慢升高,而PR方程的交互作用参数则下降,且幅度较大.因此,考虑交互作用参数时,PC-SAFT方程具有更好的计算精度和可外推性.
This work has investigated the gas （including CO, H2, CO2, N2, CH4 and C2 H6）-heavy alkane （C20,C28 and C36）systems in the condition of Fischer-Tropsch synthesis. Peng-Robinson （PR） equation of state （EOS） and perturbed-chain SAFT （PC-SAFT） EOS are used to calculate the vapor-liquid data with van der Walls one-fluid mixing rule. The results show that the total absolute average deviations are 1.39% and 1.98% with one optimized interaction parameter, 25.18% and 16. 19% with no interaction parameter for PC-SAFT and PR EOS respectively. Moreover, the temperature and carbon number （CN） of solvent effect on the interaction parameter has been studied for the considered systems. With the temperature and CN increasing, the interaction parameters of PC-SAFT EOS increase mildly and these of PR EOS decrease distinctly. Therefore, PC-SAFT EOS with one interaction parameter is more accurate and predictive in estimating the vapor-liquid equilibrium of gas-heavy alkane systems.
出处
《煤炭转化》
CAS
CSCD
北大核心
2009年第3期26-30,共5页
Coal Conversion
基金
国家杰出青年科学基金资助项目(20625620)
中国科学院知识创新工程青年人才领域前沿项目
