Related Experiment Video
Updated: Nov 22, 2025

Solubility of Hydrophobic Compounds in Aqueous Solution Using Combinations of Self-assembling Peptide and Amino Acid
Published on: September 20, 2017
Application of PC-SAFT EOS for Pharmaceuticals: Solubility, Co-Crystal, and Thermodynamic Modeling
Samane Zarei Mahmoudabadi1, Gholamreza Pazuki1
1Department of Chemical Engineering, Amirkabir University of Technology (Tehran Polytechnic), Tehran, Iran.
Abstract:
In this study, the applicability of the perturbed chain statistical associating fluid theory (PC-SAFT) was evaluated for pharmaceutical compounds. For this purpose, the parameters of the PC-SAFT equation of state (EOS) were regressed by applying the experimental solubility data of 54 pharmaceuticals in pure solvents. The reported errors for train and test data show the suitability of the PC-SAFT EOS. The applicability of the PC-SAFT EOS was explored by its prediction accuracy for the ternary system of medicine in solvent mixtures. The model errors were 23 and 26% for two ternary systems of salicylic acid and lidocaine HCl in solvent mixtures of ethanol and water, respectively. The co-crystal formation of salicylic acid-sulfamethazine in methanol was investigated by the PC-SAFT EOS. Finally, the reaction and crystallization sections for acetaminophen production from p-aminophenol were simulated by accompanying the PC-SAFT EOS and equilibrium assumption. The purification efficiencies for acetaminophen were obtained to be 93-98% for different temperatures.
Related Concept Videos
Recrystallization: Solid–Solution Equilibria
Factors Affecting Dissolution: Polymorphism, Amorphism and Pseudopolymorphism
Some polymorphic crystals possess lower aqueous solubility than their amorphous counterparts, leading to incomplete absorption. For instance, the oral suspension of Chloramphenicol, which...
Solubility of Ionic Compounds
Solubility
A solution is a homogeneous mixture composed of a solvent, the major component, and a solute, the minor component. The physical state of a solution—solid, liquid, or gas—is typically the same as that of the solvent. Solute concentrations are often described with qualitative terms such as dilute (of relatively low concentration) and concentrated (of relatively high concentration).
In a solution, the solute particles (molecules,...
Factors Affecting Solubility
Factors Affecting Dissolution: Drug pKa, Lipophilicity and GI pH
A drug's pKa and the pH of the gastrointestinal (GI) tract play crucial roles...

