异丁烷与丁烯烷基化反应的热力学计算与分析

Thermodynamic Calculation and Analysis on Alkylation of Isobutane and Butene

对异丁烷与1-丁烯烷基化反应体系进行了热力学计算,获得了不同反应温度下各烷基化反应的焓值、吉布斯自由能、平衡常数,分析了反应温度对烷基化反应平衡组成的影响。结果表明:在0~100℃的温度范围内,异丁烷与1-丁烯烷基化反应属于放热反应,且烷基化反应可以自发进行。随反应温度的升高,烷基化反应的平衡常数逐渐减小,高辛烷值TMP组分的总含量呈下降趋势。

Thermodynamic calculation on alkylation of isobutane and 1-butene was carried out. The thermodynamic data, enthalpy（△rHMθ）, gibbs energy（△rHGθ） and equilibrium constant（keqθ） of alkylation reaction at different temperature were calculated. Effect of the reaction temperature on the equilibrium composition of alkylation reaction was analyzed. The result show that the alkylation reaction of isobutane and 1-butene is exothermic and spontaneous in the range of 0100 ℃. With the increase of alkylation reaction temperature, equilibrium constant decreases and the total content of trimethylpentane（TMP） reduces slowly.