Molecular dynamics simulation of hydrogen bonding in monoethanolamine

J. K. Button, K. E. Gubbins, H. Tanaka, K. Nakanishi

Research output: Contribution to journalArticle

26 Citations (Scopus)

Abstract

We present the results of NVT molecular dynamics simulation for pure liquid monoethanolamine for several temperatures and densities corresponding to states of vapour-liquid equilibrium. We analyze radial distribution functions for information about hydrogen bonding.

Original languageEnglish
Pages (from-to)320-325
Number of pages6
JournalFluid Phase Equilibria
Volume116
Issue number1-2
Publication statusPublished - Mar 15 1996
Externally publishedYes

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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    Button, J. K., Gubbins, K. E., Tanaka, H., & Nakanishi, K. (1996). Molecular dynamics simulation of hydrogen bonding in monoethanolamine. Fluid Phase Equilibria, 116(1-2), 320-325.