Yongfu Yang

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Nonequilibrium, NVT, molecular dynamics (NEMD) simulations were used to obtain the shear viscosity, η, of isoamyl alcohol, n-butyl acetate, and their binary mixtures at 35°C and 0.1 MPa. The fluids were modeled using rigid bonds, rigid bond angles, appropriate torsional potentials, pairwiseadditive Lennard-Jones dispersion interactions between united-atom(More)
We study the process of a semiflexible polymer chain adsorption on to planar surface by the dynamic Monte Carlo (DMC) method, based on the 3D off-lattice model. Both the strength of attractive monomer-surface interaction (εa) and bending energy (b) have pronounced effect on the adsorption and shape of semiflexible polymer chain. The semiflexible polymer can(More)
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