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Chemicals, plastics and rubber industries

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On a mechanism of low-pressure insertion of chain molecules into crystalline matrices

Article Abstract:

A study proposes a microscopic mechanism of low-pressure insertion and separation of chain-like molecules in host matrices, showing that the intramolecular correlations combined to appropriate host activities are responsible for a low-pressure condensation of chain molecules. It argues that the mechanism should be dominant in low-dimensional host geometries, where the effects related to the chain conformations or reorientations are strongly suppressed.

Author: Badiali, J.P., Vakarin, E.V.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
Intermolecular forces, Crystalline polymers

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Simulations of corrosion and passivation phenomena: diffusion feedback on the corrosion rate

Article Abstract:

A discussion is done to improve the model in order to create a feedback effect of the layer formation on the corrosion rate and to analyze the structure of the corrosion front in such conditions. In this simple model that has been developed, the dynamical phenomena of diffusion and reaction are influenced by steric interactions.

Author: Taleb, A., Chausse, A., Dymitrowska, M., Stafiej, J., Badiali, J.P.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
Simulation methods, Simulation, Chemistry, Analytic, Analytical chemistry, Corrosion and anti-corrosives, Corrosion (Chemistry)

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Constrained equilibrium as a tool for characterization of deformable porous media

Article Abstract:

A new method is proposed for characterizing the deformable porous materials with noncritical adsorption probes. This new method is based on driving the adsorbate through a sequence of constrained equilibrium states with the insertion isotherms forming a pseudoctritical point or a van der Waals-type loop.

Author: Badiali, J.P., Duda, Yurko, Vakarin, E.V.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
Analysis, Porous materials, Properties, Van der Waals forces, Condensation

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Subjects list: Research, Adsorption, Structure
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