Rethinking Calibration for Process Spectrometers

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Title:
Rethinking Calibration for Process Spectrometers

Authors:
Will Warkentin, Chevron
Brian Rohrback, Infometrix

Abstract:
Optical spectroscopy is a great source of process chemistry knowledge. It has the advantage of speed, sensitivity, and simple safety requirements. As one of very few analyzer technologies that can measure chemistry, it has become a workhorse in the hydrocarbon processing industry. What if we could put a spectroscopy system in place and have it handle the application and communicate results as soon as it is turned on? Then, if predictions do not match legacy standards, the system dials itself in or calls for help. And, we are not constrained on either the hardware or the software front. In this paper, we address the primary bottleneck of mustering data, automating analyzer calibration, and tracking data and model performance over time.

Keywords:
Best Practices, Calibration, Cloud Computing, Database, Optical Spectroscopy, PLS, Process Control

Access to full article: Analysis of Biodiesel-Diesel Blended Fuels Using Ultrafast Gas Chromatography (UFGC) and Chemometric Methods

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Title:
Analysis of Biodiesel-Diesel Blended Fuels Using Ultrafast Gas Chromatography (UFGC) and Chemometric Methods

Authors:
Amber M Hupp, College of the Holy Cross
Joseph Perron, Falcon Analytical
Ned Roques, Falcon Analytical
John Crandall, Falcon Analytical
Scott Ramos, Infometrix
Brian Rohrback, Infometrix

Abstract:
Ultrafast gas chromatography (UFGC) along with supervised and unsupervised chemometric methods were utilized for evaluation of biodiesel-diesel blended fuels. A variety of biodiesel feedstocks (soybean, tallow, canola, safflower, sunflower, camelina, flaxseed, etc.) and concentrations (1–20%) were evaluated. The method, which uses a short nonpolar column, falls within ASTM D7798 requirements for diesel and extends the method to include biodiesel-diesel blended fuels. Using Principal Components Analysis (PCA), samples clustered based on concentration and diesel type, and differences in plant and animal feedstocks were apparent. Biodiesel concentration was accurately assessed using Partial Least Squares (PLS) on a training set for B0–B20, while predictions were made with some success on a set of commercial and lab unknowns. k Nearest Neighbors (kNN) was used to describe and predict concentration, plant versus animal feedstock, and to identify biodiesel blends. The combination of chemometric methods alongside UFGC proves an effective and fast technique for the analysis of biodiesel source and composition in biodiesel-diesel blended fuels.

Keywords:
Biodiesel fuel; Ultrafast gas chromatography; ASTM D7798; Principal Component Analysis; k Nearest Neighbors (kNN); Partial Least Squares (PLS)