A molecular thermodynamic model for binary lattice polymer solutions

Closed miscibility loop phase behavior of polymer solutions

“…Matsuyama and Tanaka [6], Vause and Walker [7] and Bae et al [8] reported a simple method to represent phase equilibria for the miscibility closed loop behaviors of binary polymer solutions. Recently, Yang et al [9][10][11][12] developed a new lattice model for polymer solutions by combining the molecular simulation with statistical mechanics, several types of phase diagrams such as UCST, LCST, and miscibility loop diagrams are described.…”

A molecular thermodynamic model for the swelling of thermo-sensitive hydrogels

“…The polymer-solvent interaction parameter χ in Flory-Huggins models was expanded by an accurate expression, which is both temperature and concentration dependent in the lattice model developed by Yang et al [11][12][13]. When the energy parameter is expressed as a quadratic of temperature, this model can describe the swelling behavior of neutral thermo-sensitive hydrogels.…”

“…Recently, Yang et al [11][12][13] developed a lattice model for the binary polymer solutions based on statistical associating theory. The binary lattice model gave much improved results than other models for critical points, coexistence curves, spinodal curves and mixing energies of the polymer solutions in comparison with computer simulation.…”

“…The binary lattice model gave much improved results than other models for critical points, coexistence curves, spinodal curves and mixing energies of the polymer solutions in comparison with computer simulation. In this work, a new molecular thermodynamic model for thermo-sensitive hydrogels was proposed through combining Yang et al's lattice model [11][12][13] and an elastic term [5,8,9]. When the energy parameter is expressed as a quadratic of inverse temperature, this model can describe the swelling behavior of neutral thermo-sensitive hydrogels.…”

Substrate Effect on the Phase Behavior of Polymer Brushes with Lattice Density Functional Theory

“…Although this approach is known to give only coarse‐grained information about the thermodynamic behavior of a system, it provides important insights on the mechanisms of various complex phenomena. In our previous work, a LDFT for polymer solutions is constructed by adopting the close‐packed molecular thermodynamic model for polymer solutions with local density approximation (LDA) and weighted density approximation (WDA). We also used LDFT to investigate the temperature‐thickness relationship for different types of polymer brushes, and the thermoresponsive behavior of a polymer brush is found to be characterized by the bulk phase behaviors of its corresponding polymer solution …”