کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5408149 1506525 2017 25 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Prediction of solubility of active pharmaceutical ingredients by semi- predictive Flory Huggins/Hansen model
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Prediction of solubility of active pharmaceutical ingredients by semi- predictive Flory Huggins/Hansen model
چکیده انگلیسی
In this work, solubility of four Active Pharmaceutical Ingredients (APIs) including Butyl Paraben, Fenoxycarb, Fenofibrate and Risperidone were predicted using Hansen Flory Huggins model using two different scenarios. In the first method, activity coefficient of APIs were obtained through fitting the experimental activity coefficients of solvents at particular temperature of 293 K, then components solubility in entire temperature range of study was predicted. In the second scenario, the model parameters were adjusted using experimental data of two selected solvents, then components solubility were predicted in other solvents. In order to check the physical meanings of obtained values, Molecular Dynamic (MD) simulations was utilized and the results were compared. Finally the predictive capabilities of two Hansen Flory Huggins models were compared to temperature-dependent NRTL-SAC model.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Liquids - Volume 246, November 2017, Pages 166-172
نویسندگان
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