Structure of aqueous solutions of amphiphilies

t-butyl alcohol and urea solutions

Hideki Tanaka, Koichiro Nakanishi

Research output: Contribution to journalArticle

23 Citations (Scopus)

Abstract

Molecular dynamic simulations have been carried out for aqueous solutions of t-butylalcohol (TEA) and urea. TBA molecules associate with each other at very dilute to 8 mol% TBA concentration by the contact of hydrophobic groups. The association of TBA molecules at 17 mol% TBA solution arises from hydrogen bondings between TBA molecules as well as the association of urea molecules at 17 mol%.

Original languageEnglish
Pages (from-to)77-84
Number of pages8
JournalFluid Phase Equilibria
Volume83
Issue numberC
DOIs
Publication statusPublished - 1993
Externally publishedYes

Fingerprint

1-Butanol
ureas
Urea
alcohols
Alcohols
aqueous solutions
Molecules
molecules
Association reactions
Molecular dynamics
Hydrogen bonds
molecular dynamics
Computer simulation
hydrogen
simulation

Keywords

  • molecular dynamics
  • simulation
  • t-butyl alcohol
  • urea

ASJC Scopus subject areas

  • Fluid Flow and Transfer Processes
  • Physical and Theoretical Chemistry

Cite this

Structure of aqueous solutions of amphiphilies : t-butyl alcohol and urea solutions. / Tanaka, Hideki; Nakanishi, Koichiro.

In: Fluid Phase Equilibria, Vol. 83, No. C, 1993, p. 77-84.

Research output: Contribution to journalArticle

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