Solubility of multifunctional associating molecules: measurements and thermodynamic modeling Conference Paper uri icon


  • Numerous molecules in the pharmaceutical, food and chemical industries present complex chemical structures with different functional group substitutions. Many of these groups such as amine carboxyl and hydroxyl can form hydrogen bonds To adequately describe the phase equilibria 01 these complex chemicals, models able to take into account association effects are required. Sufi, for modal development and evaluation, experimental data on some representative systems are needed. In this work, new experimental measurements and literature data were combined lo develop a methodology lo modal the phase equilibria of phenolic acids using the Cubic-plus-Association (CPA) equation of state. A comparison with The UNIQUAC activity coefficient model is also presented. Within the different classes of multifunctional associating molecules, phenolic compounds, due to their chemical and biological importance, are among the most important. Apart from being starting materials for many chemical syntheses, there is also huge evidence that some phenolic compounds have beneficial effects on human health.

publication date

  • January 1, 2008