Two highly stable molecules, CH₄ and N₂ were simultaneously activated in a single-stage microwave-heated catalytic reactor to form ammonia, ethane, ethylene, and acetylene at atmospheric pressure. Density functional calculations and micro-kinetics modelling were used to predict the reaction behavior at temperatures ranging from 573 K to 973 K and validated with experimental analysis. The influences of terrace (111) and step (211) sites on K promoted Ru crystals were established in product formation and catalyst coking. NH₃ formation occurs predominantly on the step (211) sites while C₂ product formation can occur on both the sites. It was found that the elementary reaction steps leading to NH₃ synthesis occurs due to the non-thermal effects of microwave irradiation while C₂ products formed simultaneously are due to the thermal effects only. A reaction mechanism is postulated on the catalyst coking and validated experimentally by in-situ regeneration using H₂ and O₂.

在单级微波加热的催化反应器中，两个高度稳定的分子CH ₄和N ₂同时被活化，在大气压下形成氨，乙烷，乙烯和乙炔。密度泛函计算和微动力学模型被用来预测在573 K至973 K的温度下的反应行为，并通过实验分析进行了验证。在产物形成和催化剂焦化过程中，建立了台阶（111）和台阶（211）部位对钾促进的Ru晶体的影响。NH _3的形成主要发生在步骤（211）的位置上，而C ₂产物的形成可以在两个位置上发生。发现导致NH ₃的基本反应步骤由于微波辐射的非热效应而发生合成，而同时形成的C ₂产物仅由于热效应而发生。推测了催化剂焦化的反应机理，并通过使用H ₂和O ₂进行原位再生进行了实验验证。