Local solvent density augmentation around a solute in supercritical solvent bath: 1. A mechanism explanation and a new phenomenon
Article Abstract:
A density functional (DF) approximation for nonuniform Lennard-Jones (LJ) fluid is proposed by combining a proposed partitioned DF approximation and an adjustable parameter-free version of a Lagrangian theorem-based DF approximation (LTDFA). An extensive investigation about the effect of solvent bath temperature, solvent-solute interaction range, solvent-solute interaction magnitude, and solute size on the local solvent density inhomogeneity is carried out.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Sedimentation equilibrium of colloidal suspensions in a planar pore based on density functional theory and the hard-core attractive Yukawa model
Article Abstract:
A study on the sedimentation equilibrium of colloidal suspension modeled by hard-core attractive Yukawa (HCAY) fluids in a planar pore is presented. It also investigated the density profile of the HCAY fluid in a gravitational field and its distribution between the pore and uniform phases by a density functional theory (DFT) approach.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Structure of a confined square-well fluid
Article Abstract:
Square-well fluid under the influence of an external field is investigated by means of density functional theory. It is proposed that the required input function is the bulk Percus-Yevick hard sphere direct correlation function, which is conveniently available.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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