Analysis of nonuniformity of methanol-water mixture in sub-and supercritical state via MD simulation

Takumi Ono, Masaki Ota, Yoshiyuki Sato, Hiroshi Inomata

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Alcohol-water mixtures exhibit interesting anomalies in their macroscopic properties.These features arise from inhomogeneous mixture caused by hydrogen bonding and this factor is influenced by temperature and pressure effects. We carried out molecular dynamics simulation to evaluate the nonuniformity from the macroscopic point of view. The remarkable nonuniformities of mixture were characterized by the distribution of number density of molecules in local domain at low methanol composition at 300 °C or less.

Original languageEnglish
Title of host publicationEngineering Sciences and Fundamentals 2013 - Core Programming Area at the 2013 AIChE Annual Meeting
Subtitle of host publicationGlobal Challenges for Engineering a Sustainable Future
PublisherAIChE
Pages678-681
Number of pages4
ISBN (Electronic)9781634390392
Publication statusPublished - 2013 Jan 1
EventEngineering Sciences and Fundamentals 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future - San Francisco, United States
Duration: 2013 Nov 32013 Nov 8

Publication series

NameEngineering Sciences and Fundamentals 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future
Volume2

Other

OtherEngineering Sciences and Fundamentals 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future
CountryUnited States
CitySan Francisco
Period13/11/313/11/8

ASJC Scopus subject areas

  • Engineering(all)
  • Chemical Engineering(all)

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