D Solubility parameter

FIGURE 3 2 Solvent extraction efficiencies (EF) as functions of dielectric constants (D), solubility parameters (6), and polarity parameters (P and E -). Solvents studied silicon tetrachloride, carbon disulfide, n pentane. Freon 113, cyclopentane, n-hexane, carbon tetradiloride, diethylether, cyclohexane, isooctane, benzene (reference, EF 100), toluene, trichloroethylene, diethylamine, chloroform, triethylamine, methylene, chloride, tetra-hydrofuran, l,4 dioxane, pyridine, 2 propanol, acetone, ethanol, methanol, dimethyl sulfoxide, and water. Reprinted with permission from Grosjean. ... 

Removal of traces of organics from aqueous solutions PDMS 3-D solubility parameter approach shown to be useful in predicting a [18]... 

D solubility parameter and interaction parameter values used to explain behavior (selectivity and flux). Copolymers of AN showed good selectivity with reasonable flux... 

The simple initial concept of Burrell outlined above is still a very useful one for the paint chemist and technologist, and the use of this concept has been refined by others. It is likely that readers will encounter references to the Hansen 3-D solubility parameter. The Danish chemist Hansen split the solubility parameter as used above into three components representing dispersion, polar and hydrogen bonding contributions. These are related by the equation... 

According to Hansen s 3-D solubility parameter scheme, which of the following solvents will dissolve polystyrene (Fig. 7.4) How well do these predictions agree with Eq. 7.4 ... 

The Hildebrand Solubility Parameter. This parameter, 4 can be estimated (10) based on data for a set of additive constants, E, for the more common groups ia organic molecules to account for the observed magnitude of the solubiHty parameter d = EE/V where Erepresents molar volume. SolubiHty parameters can be used to classify plasticizers of a given family ia terms of their compatibihty with PVC, but they are of limited use for comparing plasticizers of differeat families, eg, phthalates with adipates. 

Where 8 is the solubility parameter A the energy of vaporisation V the molar volume A// the latent heat of vaporisation R the gas constant T the temperature M the moleeular weight D the density. 

There have been many attempts to divide the overall solubility parameter into components corresponding to the several intermolecular forces. For example, a so-called three-dimensional solubility parameter concept is built on the assumption that the ced is an additive function of contributions from dispersion (d), polar (p), and H-bonding (h) forces. It follows that... 

Lohse et al. have summarized the results of recent work in this area [21]. The focus of the work is obtaining the interaction parameter x of the Hory-Huggins-Stavermann equation for the free energy of mixing per unit volume for a polymer blend. For two polymers to be miscible, the interaction parameter has to be very small, of the order of 0.01. The interaction density coefficient X = ( y/y)R7 , a more relevant term, is directly measured by SANS using random phase approximation study. It may be related to the square of the Hildebrand solubility parameter (d) difference which is an established criterion for polymer-polymer miscibility ... 

The horizontal portion of the plot in Figure 23.6 represents the equilibrium mass uptake—the amount absorbed at equilibrium whose magnitude is influenced by the solubility parameter 8 (Section 23.4.3.1). In reality, coefficient D quite often varies with concentration, so that the overall plot takes on a sigmoid shape (see Section 23.4.4.3), although a horizontal portion is still usually achieved eventually if it is not, the elastomer is possibly a two-phase material (a blend), with one phase much slower at absorbing the incoming liquid. 

Jaczewska, J. Raptis, I. Budkowski, A. Goustouridis, D. Raczkowska, J. Sanopoulou, M. Pamula, E. Bemasik, A. Rysz, J., Swelling of poly(3 alkylthiophene) films exposed to solvent vapors and humidity Evaluation of solubility parameters, Synth. Met. 2007, 157, 726 732... 

Y. Hernandez, M. hotya, D. Rickard, S.D. Bergin, J.N. Coleman, Measurement of multicomponent solubility parameters for graphene facilitates solvent discovery, Langmuir,... 

Kim, C.G., Clarke, W.P., and Eockington, D. Determination of retardation coefficients of sulfolane and thiolane on soils by Ko -Kocand solubility parameters, batch and colnmn experiments, iSnvzron. Geoi, 39(7) 741-749, 2000a. 

Because the heat of vaporization of a polymer is not readily obtained. Small determined values for various components of a polymer chain to calculate the solubility parameter. These values are called molar attraction constants and are additive and have been used for estimation of the solubility parameter for nonpolar polymers. In this approach 8 = D%G/M, where D is density, G are the Small molar attraction constants, and M is the molecular weight of the particular repeat unit. As expected, the more polar units have greater G values while the less polar units have smaller G values. 

Figure 8.1. Relation of solubility parameters (solpars or Hildebrand 8 values) and carbon numbers in various homologous series of solvents. (4) Normal alkanes, (B) normal chloroalkanes, (C) methyl esters, (D) alkyl formates and acetates, (E) methyl ketones, (F) alkyl nitriles, ) normal alkanols, (H) alkyl benzenes, and (I) dialkyl phthalates.

Figure 8.2. Relation of solubility parameters (solpars or Hildebrand values) to boiling points and flash points, where A boiling points of aliphatic hydrocarbons B = flash points of aliphatic hydrocarbons C = boiling points of aromatic hydrocarbons D = flash points of aromatic hydrocarbons.

Bioisosteric replacement can be made from a position of knowledge, if the desirable properties of the substituent or substructure to be changed have been characterized. Such properties can include (with typical parameters) (a) size (volume, molar refractivity, surface area, Taft s) (b) shape (Verloop length and breadth, bond angles, interatom distances) (c) lipophilicity (log P, tt,/) (d) solubility (log S) (e) ionization state (pKg, a) ... 

The practical utility of the solubility parameter approach was enhanced considerably by Hansen (9—11), who reasoned that AH was made up of hydrogen bonding, h permanent dipole interaction, and dispersion, d, contributions, so that equation 3 holds where Sj = (AEj /v)1 2 j = d, p,h. This equation is... 

Richardson, P. J., D. F. McCafferty, and A. D. V foolfson. 1992. Determination of three-component partial solubility parameters for temazepam and the effects of change in partial molal volume on the thermodynamics of drug solubility J. Pharm. 78 189-198. 

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