کد مقاله کد نشریه سال انتشار مقاله انگلیسی ترجمه فارسی نسخه تمام متن
5186373 1381102 2006 9 صفحه PDF سفارش دهید دانلود کنید
عنوان انگلیسی مقاله ISI
Prediction of intrinsic viscosity in polymer-solvent combinations using a QSPR model
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Prediction of intrinsic viscosity in polymer-solvent combinations using a QSPR model
چکیده انگلیسی

In this work, a linear quantitative structure-property relationship (QSPR) model is presented for the prediction of intrinsic viscosity in polymer solutions. The model was produced by using the multiple linear regression (MLR) technique on a database that consists of 65 polymer-solvent combinations involving 10 different polymer. Among the 30 different physicochemical, topological and structural descriptors that were considered as inputs to the model, only eight variables (four variables for the polymer and four descriptors for the solvent) were selected using the elimination selection stepwise regression method (ES-SWR). The physical meaning of each descriptor is discussed in details. The accuracy of the proposed MLR model is illustrated using various evaluation techniques: leave-one-out cross validation procedure, validation through an external test set and Y-randomization. Furthermore, the calculation of the domain of applicability defines the area of reliable predictions.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Polymer - Volume 47, Issue 9, 19 April 2006, Pages 3240-3248
نویسندگان
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