Microstructure of NH4Cl-NH3-H2O System Studied by ATR-FTIR,Raman and MD Simulation

摘要：

　　The solubility of ammonium chloride in aqueous ammonia decreases then increases with increasing ammonia concentrations.The molecular mechanism behind this trend is unclear.In this study,ATR-FTIR and Raman spectroscopic techniques were used to determine the effect of ammonium chloride on hydrogen bonding in aqueous ammonia and ultimately explain the observed solubility trend.Spectral analyses were conducted in the wavelength range of 2500-4000 cm-1.The results showed that the addition of ammonium chloride endorses the formation of N-H…N hydrogen bonds between ammonium ions and ammonia molecules when the concentration of ammonia is greater than 10%ammonia.However,for concentrations lower than 10%,ammonium ions mainly bond to water molecules,leading to hydrogen bonds of the N-H…O type that are generally less stable than N-H…N bonds.The spectral analyses are confirmed by MD simulations.The results presented herein are useful in the development of novel techniques for the separation of ammonium potassium chloride.

关键词： Ammonia Ammonium chloride solution ATR-FTIR Raman MD simulation

作者: LI Fei GUO Xiao-fu WEI Hua-chun YUAN Jun-sheng

作者单位: School of Chemical Engineering,Hebei University of Technology,Tianjin,300130,China;Engineering Research Center of Seawater Utilization Technology of Ministry of Education,Hebei University of Technology,Tianjin,300130,China

会议类型: 国际会议

会议名称: 36th International Conference on Solution Chemistry (36ICSC)(第36届国际溶液化学大会)

会议地点: 西宁

会议语种:英文

页码: 46-52

在线出版日期: 2019-08-05（万方平台首次上网日期，不代表论文的发表时间）