• Macromolecular Research
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• 제16권4호
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• pp.320-328
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• 2008

We established a thermodynamic framework of group contribution method based on modified double lattice (MDL) model. The proposed model included the long-range interaction contribution caused by the Coulomb electrostatic forces, the middle-range interaction contribution from the indirect effects of the charge interactions and the short-range interaction from modified double lattice model. The group contribution method explained the combinatorial energy contribution responsible for the revised Flory-Huggins entropy of mixing, the van der Waals energy contribution from dispersion, the polar force, and the specific energy contribution from hydrogen bonding. We showed the solvent activities of various polymer solution systems in comparison with theoretical predictions based on experimental data. The proposed model gave a very good agreement with the experimental data.

• 대한기계학회논문집B
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• 제31권7호
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• pp.620-627
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• 2007

In this paper, we adapt a modified internal energy non-equilibrium first-order extrapolation thermal boundary condition to the thermal lattice Boltzmann model (TLBM). This model is the double populations approach to simulate hydrodynamic and thermal fields. The bounce-back boundary condition which is a traditional boundary condition of lattice Boltzmann method has only a first order in numerical accuracy at the boundary and numerical instability. A non-equilibrium first-order extrapolation boundary condition has been verified to be of better numerical stability than the bounce-back boundary condition and this boundary condition is proved to be of second-order accuracy for the flat boundaries. The two-dimensional natural convection flow in a square cavity with Pr=0.71 and various Rayleigh numbers are simulated. The results are found to be in good agreement with those of previous studies.

• Macromolecular Research
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• 제17권11호
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• pp.829-841
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• 2009

This study introduces a specified group-contribution method for predicting the phase equilibria in polymer solutions. The method is based on a modified double lattice model developed previously. The proposed model includes a combinatorial energy contribution that is responsible for the revised Flory-Huggins entropy of mixing, the van der Waals energy contribution from dispersion, a polar force and specific energy contribution. Using the group-interaction parameters obtained from data reduction, the solvent activities for a large variety of mixtures of polymers and solvents over a wide range of temperatures can be predicted with good accuracy. This method is simple but provides improved predictions compared to those of the other group contribution methods.