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.

Phase transformations (Statistical physics), Polymer liquid crystals, Phase transitions (Physics), Liquid crystalline polymers, Molecular dynamics, Benzoic acid

---

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.

Science & research, Gases, Gas adsorption, Diffusion, Diffusion (Physics)

---

Similar abstracts:

• Abstracts: Molecular dynamics simulations of water with novel shell-model potentials. Brute-force molecular dynamics simulations of Villin headpiece: comparison with NMR parameters
• Abstracts: A molecular dynamics study of the correlations between solvent-accessible surface, molecular volume, and folding state
• Abstracts: Molecular models for the intercalation of methane complexes ion montmorilonite clay. Vibrational spectra of methane clathrate hydrates from molecular dynamics simulation
• Abstracts: Molecular dynamics study to investigate the effect of chemical substitutions of methionine 35 on the secondary structure of the amyloid [beta] (A[beta](1-42)) monomer in aqueous solution
• Abstracts: Molecular modeling of crystalline oligothiophenes: Testing and development of improved force fields. Modeling of molecular packing and conformation in oligofluorenes

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.