Mass spectrometry and quantum chemistry study on the methanol dehydration to dimethyl ether

Mass Spectrometry and quantum chemistry ab initio method have been used to study the reactivity of the methanol dehydration. It is shown that the meth anol dimer and methanol cluster are the predominant species of methanol in gaseousness. So we believe that rather the methanol dimer is the original r eactant of the methanol dehydration reaction to dimethyl ether than the mon o-methanol. The structure and energy of the methanol dimer and the transiti on state for the dehydration reaction have been studied, It is discussed th at the reaction pathway and factors influenced the reactivity of methanol d ehydration to dimethyl ether theoretically.