Solubility Parameters

Siddiqui, Sarfraz A.; Needles, Howard L.

doi:10.1177/004051758205200904

Cited by 14 publications

(5 citation statements)

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“…Thus, predictions of vapour pressure using solubility parameters calculated from group contribution methods are not consistently good. It was also found from additional studies made here that using other group contribution methods 9 (not Hansen's method) and for the kind of molecules looked at here the best R 2 value obtained did not exceed 0.7.…”

Section: Resultssupporting

confidence: 68%

Prediction of vapour pressure using descriptors derived from molecular dynamics

Paul

2005

Org. Biomol. Chem.

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Vapour pressures of organic materials can be predicted to high levels of accuracy using cohesive energies and solubility parameters derived from molecular dynamics simulations that use good forcefields. It is found that over 90% of the correlation with vapour pressure is accounted for by a single cross term involving the product of either the molecular weight or molar volume of a molecule and its cohesive energy density.

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Section: Resultssupporting

confidence: 68%

Prediction of vapour pressure using descriptors derived from molecular dynamics

Paul

2005

Org. Biomol. Chem.

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“…Most people believe that dyeing is the dissolution of disperse dyes in a solid solvent such as polyester 5. Therefore, the sorption ability of dyes on certain fibers can be predicted according to their solubility parameters, which have been determined for dyes, polymers, and solvents using various methods 6–19…”

Section: Introductionmentioning

confidence: 99%

Using the solubility parameter to explain disperse dye sorption on polylactide

Karst

Yang

2005

J of Applied Polymer Sci

124

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ABSTRACT:The solubility parameters of polylactide (PLA), poly(ethylene terephthalate) (PET), and various disperse dyes calculated according to the group contribution method were used to explain the low sorption of some disperse dyes on PLA but the high sorption of the same dyes on PET. It was found that the dyes with high sorption on PLA tended to have solubility parameters near that of PLA, which has a lower solubility parameter than that of PET. It was also found that the solubility parameter, which was calculated based on cohesive energy and molar volume at 25°C, was more appropriate for explaining dyeings at lower temperature, 100 and 110°C, than those at higher temperature, 130°C. Based on the finding that dyes with solubility parameters near that of PLA tend to have high sorption on PLA, general structures for disperse dye that may have high sorption on PLA were proposed.

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“…These properties are critical for band resolution, dynamic range, and separation time calculations . The intrinsic viscosity values are also important in determining the solubility parameters of polymers in different solvents. − Solubility parameters are very useful in determining the fundamental properties of materials and have been applied to drug−excipient interactions, development of transdermal patches, and drug permeation through the skin , Finally, the intrinsic viscosity values are important for probing biological macromolecular structure and interaction with solution .…”

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confidence: 99%

Intrinsic Viscosity of Polymers and Biopolymers Measured by Microchip

Lee

Tripathi

2005

Anal. Chem.

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Intrinsic viscosity provides insight to molecular structure and interactions in solution. A new microchip method is described for fast and accurate measurements of viscosity and intrinsic viscosity of polymer and biopolymer solutions. Polymer samples are diluted with solvent in the microfluidic chip by imposing pressure gradients across the channel network. The concentration and flow dilutions of the polymer sample are calculated from the fluorescent signals recorded over a range of dilutions. The viscosities at various polymer dilutions are evaluated using mass and momentum balances in the pressure-driven microchannel flow. The technique is particularly important to many chemical, biological, and medical applications where sample is available in very small quantities. The intrinsic viscosity experiments were performed for three classes of polymer solutions: (a) poly(ethylene glycol), polymers with linear hydrocarbon chains; (b) bovine serum albumin, biopolymer chains with hydrophobic and hydrophilic amino acids, and (c) DNA fragments, biological macromolecules with double-stranded polymeric chains. The measured values of intrinsic viscosity agree remarkably well with the available data obtained using different methods. The data exhibit power law behavior for molecular weight as described by the Mark-Houwink-Sakurada equation. Experiments were performed to understand the effect of solvent quality and salt concentration on molecular conformations and the intrinsic viscosity of the polymers. This method offers a new way to study the conformational changes in proteins and DNA solutions in various buffer conditions such as pH, ionic strength, and surfactants. The effects of shear rate in the microchannel and mixing time on the accuracy and limitation of the measurement method are discussed.

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Solubility Parameters

Cited by 14 publications

References 0 publications

Prediction of vapour pressure using descriptors derived from molecular dynamics

Prediction of vapour pressure using descriptors derived from molecular dynamics

Using the solubility parameter to explain disperse dye sorption on polylactide

Intrinsic Viscosity of Polymers and Biopolymers Measured by Microchip

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