CO_2和乙烯合成丙烯酸反应的热力学分析

Thermodynamic Analysis on the Formation of Acrylic Acid from CO_2 and C_2H_4

对CO2和乙烯合成丙烯酸反应的热力学进行了计算分析。在数据选择上,对多组数据进行了比较和评估,试图找出较为准确和精确的热力学数据。液相反应计算结果表明:在温度范围内反应能够自发进行;气相反应计算结果表明:在温度范围内反应不能自发进行。随着反应温度的增加,吉布斯自由能逐渐降低,反应的平衡转化率逐渐增加,但是即使在极高的温度下,吉布斯自由能仍然是正值,反应不能自发进行。这与仅有的少量实验数据略微符合。由于实验数据匮乏,目前还不能十分确定地验证热力学计算的结果。但是在现有反应物的基础上加入碘甲烷或甲醇后,耦合作用使得气相反应可以自发进行。

The paper analyses thermodynamiccalculation that the formation of acrylic acid from CO2 and C2 H4. This literature compares and evaluates couples of data ground on the choice of data and try to find more accurate and precise data. The calculation result of liquid phases reactions show that： reactions occur spontaneously in certain temperature range; the calculation result of gas phase reactions shows that; reactions can＇t occur spontaneously. Gibbs free energy gradually reduces following the reaction temperature increase and the balance conversion rate of reaction gradually increase. But even if under very high temperature, Gibbs free energy is still positive and the reaction cannot occur spontaneously. This is only few corresponding experimental data. Because of the lack of experimental data, at present no literature can validate doubtless the result of thermodynamic calculation. But some researchers found that adding CH3I or CH3 OH to reaction substrates makes the gas phase coupling reaction occur spontaneously.