256f Solid-Liquid Interfacial Energy of the Polymorphs of Paracetamol

Yin Yani and Monica H. Lamm. Chemical and Biological Engineering, Iowa State University, 2114 Sweeney Hall, Ames, IA 50011

Polymorphism changes the effectiveness of a drug, and it is often a problem in drug development. Different polymorphs often have different thermodynamic stabilities in a solvent. One method to determine the thermodynamic stability is by observing the solid-liquid interfacial energy of the polymorphs. In this study, the solid-liquid interface of paracetamol (p-Hydroxyacetanilide) crystals in water is investigated using molecular dynamics simulation. Monoclinic (form I) and orthorhombic (form II) are the known polymorphs of paracetamol. The potential energies of the crystal-water interface for these polymorphs are calculated and the interfacial energies of the ( ), ( ), ( ), ( ), ( ), and ( ) faces of each crystal structure are examined to study the relative interaction between the crystal and water at different crystal faces.