费托合成水相关二元体系热力学模型评价  

Evaluation of thermodynamic model for related binary systems of Fischer-Tropsch synthesis water

作　　者：任冉冉[1,2] 耿春宇 高琳 郝栩 杨勇 李永旺 徐新 罗国华[1] 

机构地区：[1]北京石油化工学院化学工程学院,北京102617 [2]中科合成油技术有限公司,北京101407

出　　处：《化学工程》2016年第11期30-35,共6页Chemical Engineering(China)

摘　　要：采用活度系数模型中的Wilson,NRTL,UNIQUAC和UNIFAC模型,对费托合成水中相关的二元体系汽液相平衡数据进行计算,并进一步通过Hayden-O'Connell状态方程对汽相修正,从而得到Wilson-HOC,NRTL-HOC,UNIQUAC-HOC和UNIFAC-HOC模型的计算结果,并对比模型预测的计算结果和实验数据的偏差,对模型进行评价。结果表明:醇-水/醇体系,采用Hayden-O'Connell状态方程校正汽相计算结果后,模型计算结果的准确性得到提高;水-醛/酮体系,计算时不需要对汽相进行修正;水-酸/酯体系,由于水-酸体系是强缔合体系,采用Hayden-O'Connell状态方程修正汽相计算后,计算结果与实验值的偏差明显降低;醇-酸体系,采用Hayden-O'Connell方程修正后,Wilson,NRTL和UNIQUAC计算偏差没有明显降低,但UNIFAC-HOC的计算偏差明显减小,因此在采用UNIFAC模型计算时,应对汽相计算进行修正。The deviations of the related binary vapor-liquid phase equilibrium calculations in Fisher-Tropsch synthesis water with the experimental values were calculated by the activity coefficient model of Wilson model,NRTL model,UNIQUAC model,and UNIFAC model. The Hayden-O＇Connell state equation which was combined with the former models to derive Wilson-HOC model,NRTL-HOC model,UNIQUAC model,and UNIFAC-HOC model separately was then introduced to the vapor phase calculation. The calculation results with these activity coefficient models show that the accuracy of calculation can be improved by using the EOS of Hayden-O＇Connell in alcohol-water / alcohol binary systems. In water-aldehyde / ketone systems,these calculations need not to be modified in vapor phase. In water-acid / ester systems,due to the strong association in water-acid binary systems,the deviations of calculation results to the experimental values were significantly decreased by introducing the HaydenO＇Connell state equation to modify vapor phase calculation. In alcohol-acid systems,the errors caused through the calculation are apparently reduced when UNIFAC model was modified by EOS of Hayden-O＇Connell.

关 键 词：费托合成 费托水 汽液相平衡 活度系数方程 

分 类 号：O642.42[理学—物理化学]