CIESC Journal ›› 2019, Vol. 70 ›› Issue (S1): 23-27.doi: 10.11949/j.issn.0438-1157.20181413

• Thermodynamics • Previous Articles     Next Articles

Effect of microwave field on hydrogen bonds in glycerol aqueous solution system

Hui SHANG(),Lu LIU,Hanmo WANG,Wenhui ZHANG   

  1. State Key Laboratory of Heavy Oil Processing, China University of Petroleum, Beijing 102249, China
  • Received:2018-11-26 Revised:2018-12-26 Online:2019-03-31 Published:2019-04-26
  • Contact: Hui SHANG


Molecular dynamics simulation was employed to investigate the effect of the microwave on the hydrogen bond in the glycerol aqueous solution with different concentration. It was observed that at higher glycerol concentration, glycerol molecules existed in large clusters, whilst water in small clusters or at free state. The clusters of glycerol molecules changed from large to small and became more ordered under the electric field. As the electric field intensity further increased, the overall structure of glycerol molecule did not change obviously, the hydrogen bonds at the edge of glycerol clusters were found broken. For water molecules, smaller clusters under the effect of electric field were broken and disappeared, so water molecules were arranged neatly in the direction of electric field. As the electric field intensity continues to increase, the structure of water remained unchanged, and the hydrogen bonds of water changed to a free state. Therefore at higher glycerol concentration, the hydrogen bonds of water decreased, and those of glycerol first increased and then decreased slightly; at lower glycerol concentration, hydrogen bonds of water increased first and then decreased slightly, while those of glycerol decreased.

Key words: microwave, glycerol, aqueous solution, hydrogen bond, molecular simulation, model

CLC Number: 

  • TQ 015.9

Table 1

Simulation parameters of glycerine water solution"

含水率/ %(vol)甘油密度/(g/ml)

Table 2

Number of hydrogen bonds in aqueous solution with 20% water content at different electric field strengths"





Diagram of radial distribution function"


RDF of O-O in glycerol"


Changes of water structure at field strength of 0 and 65 V/nm"

Table 3

Number of hydrogen bonds in aqueous solution with 70% water content at different electric field strengths"





Changes of glycerol-water structure at field strength of 0 and 65 V/nm"

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