Thermal properties of bulk polyimides: insights from computer modeling versus experiment

Microsecond Atomic-Scale Molecular Dynamics Simulations of Polyimides

(2013) S. V. Lyulin et al.   MACROMOLECULES

Evaluation of the characteristic equilibration times of bulk polyimides via full-atomic computer simulation

(2013) V. M. Nazarychev et al.   POLYMER SCIENCE SERIES A

Molecular-dynamics simulation of polyimide matrix pre-crystallization near the surface of a single-walled carbon nanotube

(2013) Sergey V. Larin et al.   RSC Advances

A novel multiscale method for the prediction of the volumetric and gas solubility behavior of high-Tg polyimides

(2012) Matteo Minelli et al.   FLUID PHASE EQUILIBRIA

Investigation of CO2-induced plasticization in fluorinated polyimide membranes via molecular simulation

(2012) Sadiye Velioğlu et al.   JOURNAL OF MEMBRANE SCIENCE

Effect of the SO2 group in the diamine fragment of polyimides on their structural, thermophysical, and mechanical properties

(2012) S. V. Lyulin et al.   POLYMER SCIENCE SERIES A

Structural Determination of Extem XH 1015 and Its Gas Permeability Comparison with Polysulfone and Ultem via Molecular Simulation

(2010) Jianzhong Xia et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Influence of flexible oligo(tetrafluoroethene) segment on the sorption and diffusion of carbon dioxide in poly(amide-imide) membranes

(2010) Yu Chen et al.   JOURNAL OF APPLIED POLYMER SCIENCE

Effect of alkyl side chain length on the properties of polyetherimides from molecular simulation combined with experimental results

(2010) Rui Pan et al.   JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS

Carbon Dioxide Solubility in Three Fluorinated Polyimides Studied by Molecular Dynamics Simulations

(2010) Sudharsan Pandiyan et al.   MACROMOLECULES

Carbon Dioxide Diffusion and Plasticization in Fluorinated Polyimides

(2010) S. Neyertz et al.   MACROMOLECULES

Mechanistic understanding of CO2-induced plasticization of a polyimide membrane: A combination of experiment and simulation study

(2010) Liling Zhang et al.   POLYMER

Effect of the structure and shape of filler nanoparticles on the physical properties of polyimide composites

(2010) V. E. Yudin et al.   RUSSIAN JOURNAL OF GENERAL CHEMISTRY

Molecular dynamics simulations of glassy polymers

(2010) Jean-Louis Barrat et al.   Soft Matter

Molecular dynamics simulation on glass transition temperature of isomeric polyimide

(2009) M. Li et al.   Express Polymer Letters

Molecular simulation of CO2/CH4 permeabilities in polyamide–imide isomers

(2009) Yu Chen et al.   JOURNAL OF MEMBRANE SCIENCE

Oxygen Sorption in Glassy Polymers Studied at the Molecular Level

(2009) Sylvie Neyertz et al.   MACROMOLECULES

Molecular dynamics simulation of mixed matrix nanocomposites containing polyimide and polyhedral oligomeric silsesquioxane (POSS)

(2009) Yin Yani et al.   POLYMER

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

End-Bridging Monte Carlo Simulation of Bulk and Grafted Amorphous Polyethylene Above and Below the Glass Transition

(2008) Orestis Alexiadis et al.   MACROMOLECULES

Molecular Dynamics Simulations of Oxygen Transport through a Fully Atomistic Polyimide Membrane

(2008) Sylvie Neyertz et al.   MACROMOLECULES