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    Article

    Diffusion coefficients of supercritical carbon dioxide and its mixtures using molecular dynamic simulations

    Molecular dynamic simulations have been evaluated for systems containing supercritical carbon dioxide to predict high-pressure diffusion coefficients of binary mixtures. Diffusion coefficients of high boiling ...

    Ji-Hyun Yoo, Alexander Breitholz, Yoshio Iwai in Korean Journal of Chemical Engineering (2012)

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    Article

    An empirical near-critical correction for a quasi-chemical nonrandom lattice fluid

    This paper proposes a simple empirical correction to improve the near-critical volumetric behavior of a classical equation of state (EOS) which overpredicts the critical point. The focus is on the alternative ...

    Ju Ho Lee, Gap Su Han, Alexander Breitholz in Korean Journal of Chemical Engineering (2010)

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    Article

    Nonrandom lattice fluid group contribution parameter for vapor-liquid equilibrium of esters and their mixtures

    A group contribution version of the nonrandom lattice fluid equation of state (NLF-GC EOS) has been used to predict the vapor-liquid phase equilibria (VLE) of esters and their mixtures. The investigated esters...

    Alexander Breitholz, Jong Sung Lim in Korean Journal of Chemical Engineering (2009)

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    Article

    Vapor-liquid equilibrium correlations for systems containing amines using a lattice fluid equation of state with hydrogen bonding

    The nonrandom lattice equation of state with hydrogen bonding (NLF-HB EOS) was examined for the correlation of vapor-liquid equilibria (VLE) for binary amine and hydrocarbon mixture at various temperatures. Fo...

    Alexander Breitholz, Ki-Pung Yoo, Jong Sung Lim in Korean Journal of Chemical Engineering (2008)