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Proces kristalizacije složen je proces u kojem bitnu ulogu imaju mnogi faktori kao što su topljivost tvari, temperatura i izbor pravog otapala i antiotapala. Kako bi se skratio i pojednostavio eksperimentalni dio koji je nužno provesti radi optimizacije provedbe procesa kristalizacije, osmišljeni su brojni softverski programi koji inženjerima i znanstvenicima daju modele koji mogu predvidjeti ponašanje različitih čimbenika koji utječu na kristalizaciju istraživane tvari. U općem djelu rada napravljen je pregled nekoliko softverskih programa koji su razvijeni u svrhu razvoja procesa kristalizacije, dok je u eksperimentalnom djelu rada određena topljivost djelatne tvari u različitim otapalima. Izabrani su najbolji sustavi otapala te je pomoću softverskog programa DynoChem određen model koji će najbolje opisati ovisnost topljivosti soli dihidroklorida o temperaturi i topljivosti djelatne tvari o udjelu antiotapala za svaki sustav. Pomoću istog programa određeni su modeli koji opisuju ovisnost topljivosti glicina o temperaturi uz prisutnost dodatne komponente te antiotapala u otopini. Modeli su određeni u rasponu eksperimentalnih podataka. The crystallization process is a complex process in which many factors have an important role, such as the solubility of the substance, temperature, and choice of the right solvent and antisolvent. To shorten the time and simplify the experimental part, which must be done to optimize the crystallization process, numerous software programs have been developed to provide engineers and scientists with models that can predict the behavior of various factors that affect the crystallization of the investigated substance. In this paper, an overview was made of several software programs that were designed to develop the crystallization process. In the experimental part of the work, the solubility of the active pharmaceutical ingredient (API) was determined. The best solvent systems were chosen and, using the DynoChem software program, a model was determined which was most accurate in describing the dependence of the solubility of API on temperature and mass proportion of antisolvent for each system. Using the same program, models were determined that describe the dependence of the solubility of glycine on the temperature in the presence of additives or antisolvent in a solvent. The models are determined in the range of experimental data. |
