The molecular factors affecting the solubility parameter

Abstract

SynopsisA study of the solubility parameter 62 was pursued in order to obtain further information on the prominent molecular factors affecting its value. The details of the expressions derived for the components of li2 depends on the considerable usage of both classical statistical thermodynamics and the well-known equations for intermolecular forces. The results confirm that relatively simple expressions for the components of 6* are found. The disperson component of the solubility parameter, & is a function of the molecular polarizability, fractional polarity, molar volume, and van der Waals volume. The polar component of the solubility parameter, 6: , is a function of the dipole moment, temperature, molar volume, and van der Waals volume; ST! is found to increase linearily with molecular size, while 6; is found to decrease with molecular size (except a t low molecular volumes). As will be shown, the expressions derived here have considerable utility in elucidating results obtained by other researchers.

Swelling Structure of Thin Poly(methyl methacrylate) Films in Various Alkyl Length Alcohols

“…The V alcohol values are imported from the literature. 17 That is, the interfacial segregation became more pronounced with decreasing molecular size. Translational entropy, or packing entropy, at the substrate interface increases with decreasing molecular size.…”

“…Figure shows that the molar volume of the alcohol ( V alcohol ) and ξ are inversely related. The V alcohol values are imported from the literature . That is, the interfacial segregation became more pronounced with decreasing molecular size.…”

Modeling and Multiresolution Characterization for Microfabrication Applications

“…Each molecule (solvent molecule or monomer unit of polymer) can attract or repel a neighboring molecule depending on the interaction energy ε i j between them ( i and j represent chemical species). Two different types of molecules, i and j , with different interaction energies will have an effective interaction parameter w i j given by w i j = ε i j − 1 2 ( ε i i + ε j j ) The effective interaction parameter w i j can be related to the solubility parameters of the different chemical species . The effective interaction parameter w i j is related to the effective interchange energy ω i j through the coordination number z as , w i j = ω i j z The effective interchange energy ω i j is again related to the Flory−Huggins interaction parameter χ i j by ω i j = χ i j k B T where k B is the Boltzmann constant and T is the absolute temperature.…”

“…The effective interaction parameter w ij can be related to the solubility parameters of the different chemical species. 25 The effective interaction parameter w ij is related to the effective interchange energy ω ij through the coordination number z as 26,27 w ij )…”

A Modification of the Extended Hildebrand Approach to Predict the Solubility of Structurally Related Drugs in Solvent Mixtures

“…These parameters have been found to be useful to differentiate the solvent action of solvents with a similar Hildebrand solubility parameter. They have been used in polymer science (Peiffer 1980) and for predicting the solubility of drugs in individual solvents (Beerbower et a1 1984). The partial solubility parameter, 6lb, has not been used before in solvent mixtures and it is tested here to characterize the basic properties of the solvent system.…”