کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1234651 1495279 2012 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Total sulfur determination in residues of crude oil distillation using FT-IR/ATR and variable selection methods
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
Total sulfur determination in residues of crude oil distillation using FT-IR/ATR and variable selection methods
چکیده انگلیسی

Total sulfur concentration was determined in atmospheric residue (AR) and vacuum residue (VR) samples obtained from petroleum distillation process by Fourier transform infrared spectroscopy with attenuated total reflectance (FT-IR/ATR) in association with chemometric methods. Calibration and prediction set consisted of 40 and 20 samples, respectively. Calibration models were developed using two variable selection models: interval partial least squares (iPLS) and synergy interval partial least squares (siPLS). Different treatments and pre-processing steps were also evaluated for the development of models. The pre-treatment based on multiplicative scatter correction (MSC) and the mean centered data were selected for models construction. The use of siPLS as variable selection method provided a model with root mean square error of prediction (RMSEP) values significantly better than those obtained by PLS model using all variables. The best model was obtained using siPLS algorithm with spectra divided in 20 intervals and combinations of 3 intervals (911–824, 823–736 and 737–650 cm−1). This model produced a RMSECV of 400 mg kg−1 S and RMSEP of 420 mg kg−1 S, showing a correlation coefficient of 0.990.

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ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 89, April 2012, Pages 82–87
نویسندگان
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