Microstructure of NH4Cl-NH3-H2O System Studied by ATR-FTIR, Raman and MD Simulation
投稿时间:2019-01-03  修订日期:2019-01-06
DOI:10.12119 / j.yhyj.201902004
中文关键词:  
英文关键词:Ammonia  Ammonium chloride solution  ATR-FTIR  Raman  MD simulation
基金项目:
作者单位E-mail
LI Fei 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 
2016003@hebut.edu.cn 
GUO Xiao-fu 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 
 
WEI Hua-chun 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 
 
YUAN Jun-sheng 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 
 
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中文摘要:
      
英文摘要:
      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.
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