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Dresden 2009 – wissenschaftliches Programm

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DY: Fachverband Dynamik und Statistische Physik

DY 7: Statistical physics II (general)

DY 7.7: Vortrag

Dienstag, 24. März 2009, 11:30–11:45, HÜL 386

MD simulation of the formation of pharmaceutical particles by rapid expansion of a supercritical solution — •Frank Römer and Thomas Kraska — Institute for Physical Chemistry, University Cologne, Luxemburger Str.116, 50939 Köln, Germany

Rapid Expansion from Supercritical Solution (RESS) is a method for the production of small particles down to the nanometer size for various substances including pharmaceuticals. The substance is dissolved in a supercritical solvent, typically carbon dioxide, and then expanded in a nozzle. This leads to lowering of the solubility and hence to a very high supersaturation. As a consequence the solute precipitates from the solution. We investigate this process by molecular dynamics simulation. An equilibrated supercritical solution is expanded by successive expansion of the simulation box. The parameters of the expansion are chosen to closely follow the path of an adiabatic expansion while preventing the phase separation of the solvent. The particles obtained in this way are investigated with respect to their structure and properties.

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