Chemometrics

Chemometrics

Applications in Gasoline using Chemometrics
Other applications using Chemometrics
Frequency Tracking
Model Transfer

(click the picture for a high quality version)

Applications in Gasoline using Chemometrics Top

PLS Prediction of Gasoline RON

Plot of actual RON value versus PLS predicted RON value using the Raman spectra of 108 gasoline samples.

PLS Prediction of Reid Vapor Pressure

Plot of actual Reid Vapor Pressure versus PLS predicted Reid Vapor Pressure using the Raman spectra of 176 samples.

PLS Prediction of Ten Percent Distillation

Plot of actual 10% distillation value versus PLS predicted 10% distillation value using the Raman spectra of 162 samples.

PLS Prediction of Fifty Percent Distillation

Plot of actual 50% distillation value versus PLS predicted 50% distillation value using the Raman spectra of 162 samples.

PLS Prediction of Ninety Percent Distillation

Plot of actual 90% distillation value versus PLS predicted 90% distillation value using the Raman spectra of 162 samples.

PLS Prediction of Aromatics

Plot of actual aromatic value versus PLS predicted aromatic value using the Raman spectra of 54 samples.

PLS Prediction of Olefins

Plot of actual olefin value versus PLS predicted olefin value using the Raman spectra of 54 samples.

PLS Prediction of Gravity

Plot of actual gravity value versus PLS predicted gravity value using the Raman spectra of 167 samples.

Other applications using Chemometrics Top

PLS prediction of the Sulfuric Acid Alkylation Process

PLS Predictions of the sulfuric acid alkylation process.

Polyester Samples: Acid Number Prediction

Plot of measured acid number versus PLS predicted acid number using the Raman spectra of the polyester samples.

PLS Prediction of Polybutene Viscosity

Spectra of several polybutene samples were obtained and measured. The model is based on the log(viscosity). The predicted values match very well with a standard deviation of 0.073%.

PLS Prediction of Benzene Concentration

Plot of measured Benzene Concentration versus PLS predicted Benzene Concentration using the Raman spectra of 22 gasoline samples.

Polybutene Samples and Noise

Spectra of several polybutene samples were obtained and measured. The model is based on the log(viscosity). Also measured noise on sample.

Frequency Tracking Top


	Frequency Tracking Window

Window of the CCD used for the frequency tracking.
		Frequency Tracking Off

Eleven Raman spectral peaks showing a change in the laser frequency.
			Frequency Tracking On

The eleven Raman spectral peaks have been adjusted for the change in the laser frequency.

Model Transfer Top



	Plots of two sample spectra using different instruments. As can be seen they are identical with a slight deviation from each other.