Liquid-liquid phase separation in multicomponent polymer systems

Phase behaviors of solid polymer electrolytes/salt system in lithium secondary battery by group-contribution method: The pressure effect

“…To account for free-volume effects of the MDL model, which is an incompressible model, we follow an approach outlined in principle by Kleintjens [33,34]. In this approach, the lattice is made up of occupied and vacant lattice sites (molecules and holes, respectively), and on a rigid lattice densities can be varied by adjustment of the concentration of holes.…”

Participation of molecular simulation in the development of molecular-thermodynamic models

“…We have different theories in literature to describe compressible chain fluids such as Flory-Huggins [40,41], Guggenheim [42], Kleintjens and Koningsveld [43]. Freed et al [44][45][46] developed a lattice cluster theory (LCT) which is formally an exact mathematical solution of the Flory-Huggins model.…”

Modified Guggenheim-Huggins-Miller combinatorial factor and its application to lattice fluid equation of state

“…However, Sanchez and Lacombe found that the introduction of holes (or vacant sites) in the combinatorial factors with attractive contribution leads to predictable vaporliquid transition [11]. Following their approach, a number of equations of state have been developed based on Flory's [12] or Guggenheim-Huggins-Miller's (GHM) combinatorial factor [13][14][15][16][17][18]. The latter is regarded as real improvement over the former since it considers the effect of molecular shape and chain-connectivity.…”