Journal
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
Volume 234, Issue 3, Pages 517-529Publisher
WALTER DE GRUYTER GMBH
DOI: 10.1515/zpch-2018-1299
Keywords
Hansen solubility parameters; polyamide 11; nylon; solvent mixture; solvent screening; solvent substitution; the Simplex method
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The solvent finding step has always been a time-consuming job in chemical-involved processes. The source of difficulty mainly comes from the trialand-errors, as a repetitive process of chosing solvents and mixing them in different proportions. Computers are good at doing repetitive processes; however, they can only deal with numerical values, rather than qulitative scales. Numerification of qualitative parameters (like solubility) has already been introduced. The most recent one is the Hansen solubility parameters (HSPs). Using the HSPs could provide a solvent or solvent-mixture. In our previous study, we introduced a computer-aided model and a software to find a solvent mixture. In this study, we have used the computer-aided solvent selection model to find some solvent mixtures for polyamide 11, a biobased polymer which has attracted enormous attention recently. Using this numerical model significantly diminished the time of solvent development experimentation by decreasing the possible/necessary trials.
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