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Detailed 13C NMR Analysis of Hydrocarbons – Patent Applications

by Chemistry, Energy, NMR, Process NMR

Today one often finds hydrocarbon mixtures described by the detailed carbon type analysis that is possible from 13C NMR.

Many petroleum related products are being described in this way in patents leading to a novel way of describing a material and restricting others from using those same materials in products of their own. See Exxon, Mobil, and Chevron patents such as:

 6,090,989 ;  6,210,559  ;  6,059,955  ;  6,846,778  ;  20050077208  ; and 20050077209

In this PDF file we have shown some of the details present in a 13C NMR spectrum on petroleum products such a base oils, gas oils, diesels, etc.

Details of NMR Analysis

There are some issues with the assignements of many of these patents … for more details on how NMR might be of use in the patent process contact John Edwards

Naphtha Chemistry Analysis by 1H NMR

by Chemistry, Energy, NMR, Process NMR

PDF Version

1H NMR has been used extensively by Process NMR Associates to determine PIONA analysis of Naphthas and to determine detailed aromatics breakdown in aromatics unit feeds, products, and intermediate products. Below are a few examples of naphtha chemistries that are observed and quantified by 1H NMR.

Conjugated Olefin analysis is performed by a combination of HH-COSY and 1D 1H NMR.

 

For more details contact John Edwards

Process NMR Symposia to be held at EAS 2007

by NMR, Process NMR

John Edwards of Process NMR Associates has organized and sponsored two symposium sessions at the Eastern Analytical Symposium in Somerset New Jersey, November 12-15, 2007. One session will focus on high-resolution process NMR and the other on applications of TD-NMR in process control. The speakers and talk titles are listed below. Check the EAS site for exact details on the date and time of the sessions (EAS website). If you are interested in attending and would like to submit a paper for presentation visit the EAS Abstract submission site.

Session Title: Process NMR Technology – High Resolution NMR

John Edwards, Process NMR Associates, “Introduction to NMR in Process Control”

Miko DeLevy, Qualion NMR Analyzers, “Standardizing and Stabilizing NMR Calibration Transfer”

Paul Giammatteo, NMR Process Systems, “More from the Barrel – On-line NMR Increases Diesel Production and Quality”

Marcus Trygstad, Invensys Process Systems, “Taking NMR into the Refining Process:  Best Practices and Benefits”

Andreas Kaerner , Eli Lilly, “Get Your Head Out of the Sand: Use of Reaction-NMR to Better Understand Reactions in Process Development”

Veena Bansal, Indian Oil Corporation, “Direct Prediction of Gasoline Properties for Monitoring Refinery Processes by 1H NMR Spectroscopy”

Session Title: Process NMR Technology – TD-NMR

Harry Xie, Bruker Optics, “Recent Developments in Time-domain NMR and its Applications in Polymer Industry”

Vaughn Davis, Progression Inc, “Time Domain NMR: Uses and Contributions to Process Control”

YiQiao Song, Schlumberger-Doll, “Recent Progress of NMR and MRI in Petroleum Exploration”

Maziar Sardashti, ConocoPhillips, “Applications of TD NMR to Laboratory and On-line Polymer Analysis”

Sergey Kryuchkov, University of Calgary, “Challenges in Online Water Cut Monitoring of Heavy Oil Thermal Operations Using Low Field NMR”

Chris Borgia, Colgate Palmolive, “Benchtop Fluoride NMR:  A Rapid QC/QA Method”

Trans Fat Analysis by NMR

by Chemistry, NMR, Process NMR

A series of Trans Fat standards was purchased from AOCS. The ability of 1H and 13C NMR to predict Trans Fat Content as well as 

Saturated, Poly-unsaturated, and Mono-unsaturated Fat Content

The data of the samples is presented in the table below:

 

 

PLS regression techniques were used to correlate 1H and 13C NMR spectral variation to the unsaturation level and type of unsaturation of the samples.

 

Processed 13C data is shown below:

 

 

1H NMR data is shown below:

 

 

The following correlations were obtained from the 13C NMR data.