Prediction and solubility of polar polymers and crystalline solids in solvent mixtures

• Grant number: 01/11123-9
• Support Opportunities: Research Grants - Research Partnership for Technological Innovation - PITE
• Start date: September 01, 2002
• End date: May 31, 2004
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
• Principal Investigator: Martin Aznar
• Grantee: Martin Aznar
• Host Institution: Faculdade de Engenharia Química (FEQ). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Company: Rhodia Poliamida e Especialidades Ltda
• City: Campinas

Abstract

The project developed a predictive safe and suitable methodology for the formulation of industrial solvents for the solubilization of crystalline solids. The proposal was, in the first instance, to apply the Hansen methodology, originally developed for polymers, to systems with polar polymers and crystalline solids, using experimental data on the solubility of solids in solvents. Data on the solubility of solids of interest was acquired. A computer program was developed to obtain the parameters of solubility of the solid based on experimental information. In addition, the creation of two alternative methodologies for predicting the solubility of solids was proposed. The first calculates the solubility using the parameters estimated on the basis of the experimental data. The second predicts the solubility on the basis of the thermodynamic criterion of solid-liquid equilibrium, using the UNIFAC model. Software was developed encompassing all the methodologies worked on. (AU)