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

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Keywords

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

ASJC Scopus subject areas

  • Fluid Flow and Transfer Processes
  • Physical and Theoretical Chemistry

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