Permeation of small penetrants in hydrogels

Yoshinori Tamai, Hideki Tanaka

Research output: Contribution to journalArticle

30 Citations (Scopus)

Abstract

Molecular dynamics (MD) simulations are performed to investigate permeation processes of oxygen and nitrogen in PVA hydrogels. Permeabilities of oxygen and nitrogen are calculated from diffusion coefficients and solubilities, which are obtained by molecular simulations. Separation factors agree semiquantitatively with experiments. Diffusion process of the gases is examined in connection with the mobility of polymer chains and with the reorganization of hydrogen-bond networks.

Original languageEnglish
Pages (from-to)441-448
Number of pages8
JournalFluid Phase Equilibria
Volume144
Issue number1-2
Publication statusPublished - 1998
Externally publishedYes

Fingerprint

penetrants
Hydrogels
Permeation
Nitrogen
Oxygen
nitrogen
oxygen
Molecular dynamics
Hydrogen bonds
permeability
Polymers
solubility
diffusion coefficient
simulation
Solubility
Gases
hydrogen bonds
molecular dynamics
Computer simulation
polymers

Keywords

  • Computer simulation
  • Gas separation
  • Hydrogel
  • Molecular dynamics
  • MTMS '97
  • Polymer
  • Water

ASJC Scopus subject areas

  • Fluid Flow and Transfer Processes
  • Physical and Theoretical Chemistry

Cite this

Permeation of small penetrants in hydrogels. / Tamai, Yoshinori; Tanaka, Hideki.

In: Fluid Phase Equilibria, Vol. 144, No. 1-2, 1998, p. 441-448.

Research output: Contribution to journalArticle

Tamai, Y & Tanaka, H 1998, 'Permeation of small penetrants in hydrogels', Fluid Phase Equilibria, vol. 144, no. 1-2, pp. 441-448.
Tamai, Yoshinori ; Tanaka, Hideki. / Permeation of small penetrants in hydrogels. In: Fluid Phase Equilibria. 1998 ; Vol. 144, No. 1-2. pp. 441-448.
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