气相三甲基苯的标准生成热△H^θ298.15(g)用沃森(Watson)经验方程估算,标准熵S^θ298.15用键熵法估算,摩尔等压热容Cp,m随温度的变化趋势通过多项式回归的方法得到.在此基础上,计算二甲醚芳构化体系各主要反应的标准摩尔焓变△rH^bm、吉布斯自由能变△rG^θm、平衡常数1nK与温度T的关系.结果表明,在分析的温度范围内,二甲醚反应生成C1~C9芳烃均为放热反应,吉布斯自由能变均为负值,平衡常数随温度升高而减小,说明反应能自发进行,升高反应温度不利于芳烃的生成.
The standard formation heat of gaseous trimethylbenzene was estimated with Watson empirical equation. The gaseous trimethylbenzene's ,tandard entropy was calculated with bond entropy method and its heat capacity changing trend with temperatures was obtained according to polynomial regress. On this basis, the standard molar enthalpy, the Gibbs free energy change and the reaction equilibrium constant of the main reaction for the selective conversion of dimethyl ether to aromatic at different temperature were calculated. The results showed that the reactions of dimethyl ether to C6 -C9 aromatics were exothermic within the analytic temperatures. The Gibbs free energy changes were negative, and the reaction equilibrium constants decrease with temperature increase. It indicatedthat these reactions could process spontaneously, and high temperature was not avail to the formation of aromatics.