天然气制乙炔工艺高级炔烃聚合机理探析

Polymerization mechanism analysis of higher alkynes in natural gas to acetylene process

提出了天然气部分氧化法制乙炔工艺提浓工段副产的高级炔烃容易发生聚合的可能机理。通过密度泛函理论计算了相关反应的过渡态和能垒,认为装置体系中存在过氧化物和Fe2+等杂质是高级炔烃容易聚合的主要原因,并用聚合物的分析表征结果进行了验证。

A polymerization mechanism of higher alkynes in the production process of acetylene from natural gas was proposed, and the related reaction transition states and the energy barriers were calculated by density functional theory. The impurities such as peroxides and Fe2＋existed in the device system were considered to be the main factor for the polymerization of higher alkynes, and the conclusion was verified by the analytical results of polymers.