CRC Handbook Of Solubility Parameters And Other...

The CRC Handbook of Solubility Parameters and Other Cohesion Parameters, Second Edition, which includes 17 new sections and 40 new data tables, incorporates information from a vast amount of material published over the last ten years. The volume is based on a bibliography of 2,900 reports, including 1,200 new citations. The detailed, careful construction of the handbook develops the concept of solubility parameters from empirical, thermodynamic, and molecular points of view and demonstrates their application to liquid, gas, solid, and polymer systems.

Its principal utility is that it provides simple predictions of phase equilibrium based on a single parameter that is readily obtained for most materials. These predictions are often useful for nonpolar and slightly polar (dipole moment < 2 debyes[citation needed]) systems without hydrogen bonding. It has found particular use in predicting solubility and swelling of polymers by solvents. More complicated three-dimensional solubility parameters, such as Hansen solubility parameters, have been proposed for polar molecules.

The mole fraction solubility of satranidazole in water-DMF mixtures and other parameters of interest (δ1, Φ1, V1) are collected in Table 1. The plot of these experimental solubilities versus the solubility parameter of mixtures, δ1 is shown in fig. 1. The solubility of satranidazole was far from its ideal value in both pure solvents (DMF, water) as well as in the mixtures. The maximum solubility, although higher than ideal occurred at a δ1=12.10, very close to the calculated δ2 for satranidazole.

For more than 50 years Hansen Solubility Parameters, HSP, have proven to be a powerful, practical way to understand issues of solubility, dispersion, diffusion, chromatography and more. From academic labs to industrial applications users have been able to formulate intelligently using the key insight that solvents, polymers, nanoparticles etc. can be well characterised by just three parameters δD for Dispersion (van der Waals), δP for Polarity (related to dipole moment) and δH for hydrogen bonding. What other technique can, for example, show that two bad solvents can predictably combine to form a good solvent

HSP have proven to be more powerful than ill-defined notions such as \"polar\" and \"non-polar\" or \"hydrophilic\" and \"hydrophobic\". And it is most unfortunate that so many attempts are made to describe complex behaviour in terms of a monodimensional number such as LogP, the octanol-water coefficient. The three numbers of HSP capture what formulators recognise as three different components of a substance, in a way that LogP simply cannot do. HSP provide explanations for phenomena, but importantly they also have predictive power. Other tools are available - but HSP is the most useful! In some cases, for example, the heavily parameterised UNIFAC technique can provide superior predictions. Or the quantum-chemistry basis of the COSMO-RS approach (e.g. in the COSMOtherm packages) might well appeal to those requiring precise predictions in well-defined formulations. Other approaches such as Abraham parameters and NRTL-SAC each have their unique capabilities. A good formulator uses the right tools for the job at hand and we are happy to acknowledge that there are other approaches to solubility phenomena. However, we believe that if you have to use just one tool then it should be HSP, because it works well across such a wide range of real-world problems. See the HSP Examples in the HSP Science menu. For the practical formulator, publications and patents With the advent of HSPiP - Hansen Solubility Parameters in Practice which provides software, datasets and an eBook all in one package, the use of HSP has expanded considerably and its predictive power is easier to apply. The number of publications and patents quoting HSPiP has grown rapidly in recent years - yes, HSPiP's predictive power extends to creating novel patents in a wide range of areas from cosmetics to vapour liquid equilibria. The large HSPiP user community is always pushing the boundaries of what is possible and the package is now in its 5th major iteration. Because so many improvements come from suggestions from the user community they all receive free upgrades to new versions. And with strong, free, technical support (including an initial 1-hr on-line live tutorial) the user community is able to develop its own skills base. But note that HSPiP would not have been possible without the \"bible\" of HSP - Charles Hansen's Hansen Solubility Parameters, A User's Handbook, 2nd Edition from 2007 - which has become a CRC Classic. Polymers, Nanoparticles, Solvents, DNA, Gloves, Skin ... HSP started life as an attempt to understand the solubility of polymers in solvents and solvent blends. The key early insight that two bad solvents could create a good solvent enabled totally new ways to work with polymers. But it became apparent that pigments, gloves, nanoparticles, DNA, skin, etc. could all be described in HSP terms and interactions not only with solvents but with plasticisers, aroma chemicals, food-stuffs etc. could all be helpfully described. That's why HSP are found just about everywhere that formulators are formulating. Exploration The site allows you to explore key aspects for HSP. Get to know Charles Hansen, find out about diffusion controversies, see what HSPiP can do, try out some simple HSP \"apps\" and if you wish, purchase a copy of the HSPiP. About this site The site is written and maintained by (and the apps are written by) Prof Steven Abbott. The content is a combined effort from the HSPiP team, Steven, Charles and Hiroshi. The official site of Hansen Solubility Parameters and HSPiP software.

Abstract:Estimating molar solubility from the Hildebrand-Scott relation employing Hansen solubility parameters (HSP) is widely presumed a valid semi-quantitative approach. To test this presumption and to determine quantitatively the inherent accuracy of such a solubility prognosis, l-ascorbic acid (LAA) was treated as an example of a commercially important solute. Analytical calculus and Monte Carlo (MC) simulation were performed for 20 common solvents with total HSP ranging from 14.5 to 33.0 (MPa)0.5 utilizing validated material data. It was found that, due to the uncertainty of the material data used in the calculations, the solubility prediction had a large scattering and, thus, a low precision. Prediction power is most adversely affected by the uncertainty of the HSP estimates (solvent and solute), followed by the solute heat of fusion. The solute melting temperature and molar volume have minor effects. Computed and experimental solubilities show the same qualitative behavior, while quantitative discrepancies reach one to three orders of magnitude. Solubility estimates were found to provide, at best, rough guiding information but, with the quality of material data on LAA available, they cannot be rated semi-quantitative. It is assumed that these results generally apply at least to solute-solvent systems with a material data quality and solubility similar to LAA.Keywords: molar solubility estimation; ascorbic acid solubility; ascorbic acid Hansen parameter 59ce067264

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