甲醇及其衍生物低温氧化过程的热力学分析  

Thermodynamic analysis for the oxidation of methanol and its derivatives

作　　者：杨绪壮[1] 袁章福[1] 沈岳年[2] 

机构地区：[1]中国科学院过程工程研究所多相反应开放实验室,北京100080 [2]内蒙古大学化学化工学院,内蒙古呼和浩特010020

出　　处：《计算机与应用化学》2005年第9期717-719,共3页Computers and Applied Chemistry

基　　金：国家自然科学基金资助项目(20263001)

摘　　要：利用HSC热力学软件对甲醇、甲醛、甲酸、O2、N2、CO2和H2O构成的多元、多相体系进行了热力学计算。从热力学角度看,在较低的温度下,甲醇、甲醛和甲酸更易被完全氧化成CO2和H2O而不是被部分氧化成其中间产物。同时,在270 K温度下,甲醇、甲醛的转化率仍接近100%,因此,其氧化过程为动力学控制,使开发高效低温催化燃烧催化剂成为可能。Thermodynamic calculation for the multi-component, multi-phase system composed by methanol, formaldehyde, formic acid, O2 , N2, CO2 and H2O is carried out using the HSC software. To the extent of thermodynamics, the oxidation reactions of methanol, formaldehyde and formic acid are all spontaneous. They can more easily be deep-oxidized to CO2 and H2O than partially-oxidized to their intermediates. The conversions of the methanol and formaldehyde are approached to 100% even under the temperature of 270 K. Accordingly, the oxidation process is dynamically controlled. This makes it possible to develop a kind of high efficient low temperature combustion catalyst.

关 键 词：甲醇 衍生物 低温氧化过程 热力学分析 Gibbs自由能最小法 HSC 

分 类 号：O623.411[理学—有机化学]