5 papers
Prediction of polymer mixture compatibility by Monte Carlo simulation of intermolecular binary interactions
Amirhossein Ahmadi, Juan J. Freire
We have evaluated conformational and orientational averages of binary interaction integrals for pairs of chains constituting atomistic representations of short polymer molecules. B…
Molecular Dynamics Simulation of Miscibility in Several Polymer Blends
Amirhossein Ahmadi, Juan J. Freire
The miscibility in several polymer blend mixtures (polymethylmethacrylate/polystyrene, (1,4-cis) polyisoprene/polystyrene, and polymethylmethacrylate/polyoxyethylene) has been inve…
Intramolecular distances and form factor of cyclic chains with excluded volume interactions
Ana M. Rubio, G. Alvarez, J. J. Freire
Numerical simulations are performed for isolated cyclic chains with excluded volume. Data are reported for the form factor, S(x), where x is the reduced scattering variable, and al…
Influence of chain topology and bond potential on the glass transition of polymer chains simulated with the bond fluctuation model
Juan J. Freire
The bond fluctuation model with a bond potential has been applied to investigation of the glass transition of linear chains and chains with a regular disposition of small branches.…
Improved simulation method for the calculation of the intrinsic viscosity of some dendrimer molecules
Esteban Rodriguez, Juan J. Freire, G. del Rio Echenique +2
A method previously proposed for calculating the radius of gyration and the intrinsic viscosity of dendrimers is modified to give a more accurate description of existing experiment…