文献类型：期刊文献

英文题名：Preparation and Mechanism Study of Green Cyanamide Calcium

作者：Wang, Shuo[1];Meng, Xuan[1];Zhang, Jing[1];Zhang, Xiangyang[1];Wang, Sitan[1];Shi, Li[1];Liu, Naiwang[1]

机构：[1]East China Univ Sci & Technol, Shanghai 200237, Peoples R China

年份：2023

卷号：62

期号：33

起止页码：12985

外文期刊名：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

收录：;EI(收录号：20233614668223);WOS:【SCI-EXPANDED(收录号:WOS:001048152000001)】；

语种：英文

外文关键词：Calcium carbide - Calcium chloride - Density functional theory - Hydrated lime - Lime - Metabolism - Molar ratio - Reaction intermediates - Sodium chloride

摘要：Calcium cyanamide was synthesized by the twice calcinationof calciumoxide and urea which was different from the traditional calcium carbidemethod. Including reaction time, reaction temperature, and reactionmolar ratio, the more suitable reactions were explored, which improvedthe utilization of urea and yield of calcium cyanamide. The phenomenonof visco-wall during the reaction process was alleviated by addingsodium chloride, and this effect was explained at the micro level.The chemical bond and weight change of the main byproducts and intermediateproducts in the reaction process were characterized systematically.A reaction model between urea and calcium oxide was constructed basedon density functional theory (DFT), which complemented the reactionconditions and characterization results. Finally, the reaction mechanismbetween urea and calcium oxide was proposed.