Molecular dynamics studies of the phase transitions of homopolymers of p-hydrobenzoic acid
Article Abstract:
Force-field and molecular dynamic methods were used as a basis for the presentation of studies of liquid crystals composed of the homopolymer of p-hydroxybenzoic acid. The nature of the high-temperature phase transitions which have been experimentally identified for these polymers were extracted from structural data coming from MD simulations. The application of the methods and simulations are suitable for a description of the occurence of phase transitions with these novel liquid crystal materials.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
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Reactivity of gas barrier membranes filled with reactive particulars
Article Abstract:
Gas barrier plastic films and structures capable of removing a permeating solute via irreversible chemical reactions in the polymer matrix are investigated in applications of active packaging for controlling contained environments. Reducing the mean reactive particle size was found to be the perfect way of increasing the reactivity of diluted to medium-filled composite barriers.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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