PNA to Present 4 Topics at the 2015 ACS North East Regional Meeting

John Edwards of Process NMR Associates will be presenting 4 papers at the 2015 ACS Northeast Regional Meeting that will be held in Ithaca, NY, June 10-13, 2015. ABSTRACT ID: 2283171 ABSTRACT TITLE: 1H qNMR of Alcoholic Cider - Analysis of Small Molecule and Residual Sugar Chemistry (final paper number: 43) SESSION: Food Chemistry SESSION TIME: 5:00 PM - 9:00 PM PRESENTATION FORMAT: Poster DAY & TIME OF PRESENTATION: Wednesday, June, 10, 2015, 5:00 PM - 9:00 PM ROOM & LOCATION: Emerson Suites - Campus Center ABSTRACT ID: 2283063 ABSTRACT TITLE: Nutritional Supplement and Diesel Fuel Application Development for Benchtop NMR Systems Operating at 42, 60, and 80 MHz – Equivalency with Supercon NMR (final paper number: 336) SESSION: Analytical Chemistry SESSION TIME: 9:00 AM - 11:30 AM PRESENTATION FORMAT: Oral DAY & TIME OF PRESENTATION: Friday, June, 12, 2015 from 9:45 AM - 10:05 AM ROOM & LOCATION: 222 - Williams Hall ABSTRACT ID: 2283105 ABSTRACT TITLE: Survey of Low Field NMR Spectrometer Platforms for Successful Screening of Sexual Enhancement and Weight Loss Supplements for Adulteration with Drugs and Drug Analogs (final paper number: 386) SESSION: Medicinal Chemistry SESSION TIME: 1:00 PM - 3:20 PM PRESENTATION FORMAT: Oral DAY…

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Polyalphaolefin Hydrogenation – Residual Olefin Analysis – 1H NMR versus Bromine Number

1H NMR is an excellent tool for monitoring the residual olefin content of polymers after hydrogenation reactions. The fact that the olefin fall in a unique region of the spectrum means that it is a straightforward measurement to quantify the %H present as olefin or to correlate that olefin content with other analyses such as bromine number. Here is an example of a polyalphaolefin residual olefin analysis. The olefin proton content (%H) was plotted against bromine number values obtained on each of the samples. A linear correlation was obtain but two different correlations were observed that were dependent on the viscosity index of the polyalphaolefin being analyzed. Figure 1 shows the 1H NMR spectra obtained on neat samples on a Picospin-80 spectrometer operating at 82.3 MHz. The methyl and methlene protons of the polymer backbone are plainly seen and the olefin and alpha-olefin protons are observed.   Figure 2 shows the linear correlation between %H olefin and bromine number with the two correlations caused by different VI grade being indicated. The analysis shows that for the two viscosity grades the grade can be identified from the linear correlation that the data falls onto and the %H olefins content can directly…

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Residual Catalytic Cracker – Heavy Petroleum Feedstream Properties from 1H NMR at 43 MHz

Back in October we presented a talk at Gulf Coast Conference that concerned the prediction of the chemical and physical properties of heavy petroleum feeds being converted to higher value product in a residual catalytic cracker (RCC). Over the years we have analyzed these materials by 300 and 60 MHz NMR and obtained good PLS-regression models that can adequately predict properties for real-time process control and optimization in a petroleum refinery. With the advent of a large number of new benchtop NMR systems we have been convincing ourselves that these types of analyses can be performed by systems such as the Magritek Spinsolve 43 MHz. We ran a series of samples that had been sitting around our lab for 15 years by dissolving them at about 50 volume% in a 50/50 CDCl3/CS2 solvent system. For each sample we had laboratory test data for a number of chemical and physical properties of interest to process engineers. We regressed the lab data variability against the variability in the Magritek 43MHz 1H NMR spectra and obtained cross-validated PLS models. The presentation material is given here at this link - Gulf Conference Presentation - 43 MHz RCC Feedstream Regression Models

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