Thermodynamic perturbation theory TPT

Agrofonov, Martinov, and Sarkisov have recently proposed another theory for dipolar hard spheres based on the HNC approximation. Their approach is similar in spirit to that followed in the usual thermodynamic perturbation theory (TPT) of dipolar fluids. It is assumed that h 2) can be expanded in the power series... 

Following thermodynamic perturbation theory (TPT) (Shukla, 1987 Zhou and Solana, 2009), the LJ interaction can be generally decomposed into the summation of a repulsion part and a perturbative attraction part... 

The Gibbs free energy of hydration, AGx(aq), was calculated using the MC simulation coupled to the thermodynamic perturbation theory (TPT) [41-43], in which a series of MC runs is carried out. A system with one solute molecule and 1000 water molecules at normal conditions in the NpT ensemble was used for the TPT calculations. The... 

The discrepancy for X2 between experiment, Eq. (36) and mean-field prediction, Eq. (35), has led to a large theoretical activity, aiming to explain how a different exponent could arise, and to predict what its value should be [58, 59, 60, 61, 62,63]. We shall come back to this question in the framework of thermodynamic perturbation theory (TPT) in Sect. 4. There is the alternative view that logarithmic corrections to the simple mean-field power laws, Eqs. (4) and (5), are present, namely [64]... 

Table 3.1. Total Energies (kcal/ml) of Five Conformations of Met-enkephalin in Ambient Water, Following from the ID- and 3D-RISM/HNC Theories and from those with the RBC(Repulsive Bridge Correction)-TPT(Thermodynamic Perturbation Theory) Treatment...

FH = Flory-Huggins GF = generalized Flory GFD = generalized Flory dimer HNC = hypemetted chain HTA = high temperature approximation IFJC = ideal freely joined chain ISM = interaction site model LCT = lattice cluster theory MS = Martynov-Sarkisov PMMA = polymethyl methacrylate PRISM = polymer reference interaction site model PVME = polyvinylmethylether PS = polystyrene PY = Percus-Yevick RMMSA = reference molecule mean spherical approximation RMPY = reference molecular Percus-Yevick SANS = small angle neutron scattering SFC = semiflexible chain TPT = thermodynamic perturbation theory. 

---