摘要
甲醇氧化一步合成甲缩醛反应体系存在多个副反应。采用原子矩阵法确定了复杂反应体系中的6个独立反应,对反应体系的热力学进行了计算,并借助Chem CAD软件对反应体系进行了模拟计算,最后通过实验方法对热力学计算进行了验证。结果表明,在398.15--673.15K范围内,体系中的各个反应都能自发进行,且具有很大的平衡常数。但在反应相互竞争的情况下,甲缩醛的选择性非常低,产物组成主要受到催化剂性能和反应动力学的影响,适当提高反应温度是有利的。实验得出较适宜的温度是180℃。
Several side reactions exist in the reaction system of one-step oxidation of methanol to methylal. Six independent reactions were determined by the atomic coefficient matrix method, and a thermodynamic calculation was conducted for this complicated reaction system. The ChemCAD software was used to simulate the products distribution. Experiments were carried out to test the results of thermodynamics and simulation. Results showed that each reaction could spontaneously happen under 398.15- 673.15K with a large equilibrium constant, however, the selectivity of methylal was very low because of the competition between the reactions. The products distribution was mostly influenced by the performance of catalyst and the kinetics, and properly elevating the temperature could be in favor of the synthesis of methylal. The optimal temperature determined by the experiments was 180℃.
出处
《天然气化工—C1化学与化工》
CAS
CSCD
北大核心
2015年第5期19-23,共5页
Natural Gas Chemical Industry
基金
河北省高等学校科学技术研究项目(QN2014144)
