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2018 (English)In: Journal of Information Technology & Software Engineering, Vol. 8, no 4, article id 1000242Article in journal (Refereed) Published
Abstract [en]
Solvent selection is a crucial step in all solvent-involved processes. Using the Hansen solubility parameters (HSPs)could provide a solvent/solvent-mixture, but there are two main challenges: 1) What solvents should be selected? 2)From each solvent, how much should be added to the mixture? There is no straightforward way to answer the twochallenging questions. This contribution proposes a computer-aided method for selecting solvents (answer to thequestion 1) and finding the adequate amount of each solvent (answer to the question 2) to form a mixture of 2, 3 or4 solvents to dissolve a solute with known HSPs or to replace a solvent. To achieve this, a sophisticated computersoftware package was developed to find the optimized mixture using the mathematical Simplex algorithm based onHSPs values from a database of 234 solvents. To get a list of solvent-mixtures, polyamide66 was tested using itsHSPs. This technique reduces the laboratory effort required in selecting and screening solvent blends while allowinga large number of candidate solvents to be considered for inclusion in a blend. The outcome of this paper significantlydiminished the time of solvent development experimentation by decreasing the possible/necessary trials. Thus, themost suitable solvent/solvent-substitution can be found by the least possible effort; hence, it will save time and costof all solvent-involved processes in the fields of chemistry, polymer and coating industries, chemical engineering, etc.
Keywords
Hansen solubility parameters; Solvent mixture; Solvent substitution; Simplex method, Linear programming, Quadratic minimization, Solvent screening
National Category
Industrial Biotechnology
Research subject
Resource Recovery; Resource Recovery
Identifiers
urn:nbn:se:hb:diva-22384 (URN)10.4172/2165-7866.1000242 (DOI)
2020-01-082020-01-082020-01-08