کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1203124 | 965099 | 2010 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Prediction of gas chromatographic retention time via an additive thermodynamic model
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
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چکیده انگلیسی
A straightforward group contribution model based on thermodynamic parameters was developed to predict retention times for a series of alcohols and ketones on three different stationary phases. Thermodynamic parameters determined from gas chromatographic retention data for structurally similar compounds via a three-parameter model were used to predict the retention times of test molecules consisting of ketones and alcohols. The model worked well for the compounds tested with a root mean square error of prediction of 5.50 s across all compounds, phases, and temperature ranges studied. Considering just the alcohols, the error of prediction was 2.79 s across all phases and temperatures.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Chromatography A - Volume 1217, Issue 29, 16 July 2010, Pages 4862–4867
Journal: Journal of Chromatography A - Volume 1217, Issue 29, 16 July 2010, Pages 4862–4867
نویسندگان
Bryan Karolat, James Harynuk,