Energy Archives - NMR Testing Laboratory

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

May 17, 2015 by process nmr Beer, Benchtop NMR, Chemometrics, Cider, Energy, Herbal Supplement, NMR, PAT, Petroleum, qNMR

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 & TIME OF PRESENTATION: Friday, June, 12, 2015 from 2:20 PM – 2:40 PM
ROOM & LOCATION: 302 – Williams Hall

ABSTRACT ID: 2283153
ABSTRACT TITLE: From Mash to Bottle: Chemistry of the Beer Brewing Process and NMR-based Quality Control (final paper number: 284)
SESSION: Food Chemistry
SESSION TIME: 1:30 PM – 3:10 PM
PRESENTATION FORMAT: Oral
DAY & TIME OF PRESENTATION: Thursday, June, 11, 2015 from 1:35 PM – 1:55 PM
ROOM & LOCATION: 202 – Williams Hall

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

February 27, 2015 by process nmr Benchtop NMR, Chemistry, Chemometrics, Energy, NMR, PAT, Petroleum, Process NMR, qNMR, Reaction Monitoring, TD-NMR Tagged: NMR, Petroleum, RCC

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

Nutritional Supplement and Diesel Fuel Application Development for Benchtop NMR Systems Operating at 42, 60, and 80 MHz – Equivalency with Supercon NMR

February 26, 2015 by process nmr Benchtop NMR, Chemometrics, Energy, Herbal Supplement, NMR, PAT, qNMR

Benchtop high-resolution NMR systems are available at a number of field strengths and probe configurations. However beyond the obvious academic instruction market for these instruments very few applications have been demonstrated across all available platforms and thus proving the general applicability of benchtop NMR technology to industrial quality control. We will present two chemometric-based applications that have been developed at 4 different field strengths utilizing Varian Mercury 300 MHz, Magritek Spinsolve 42 MHz, Aspect AI 60 MHz, and Thermo Picospin 80 MHz NMR systems. Partial-least-squares (PLS) regression correlations were obtained on all 4 platforms relating to:
1) Omega-3 fatty acid composition of samples taken from various points in a nutritional supplement manufacturing process. Excellent correlations were obtained on all 4 NMR instruments proving that NMR technology is applicable to in-lab, at-line. or on-line analysis of fish oil derived omega-3 fatty acid supplements. The 40 second NMR analysis effectively replaces a 60+ minute GC analysis.
2) Physical and chemical property determination of diesel fuels where excellent correlations were obtained between 1H NMR variability and parameters such as density, aromatic content by GC, hydrogen content by 1H TD-NMR (ASTM D7171 method), and sulfur content. Many more physical and chemical properties can be correlated to the 1H NMR spectrum allowing a single 40 second NMR experiment to predict 10-15 parameters that each require dedicated analyzers.
Finally, we will present the concept and initial results from an independent server-based NMR application software that can be utilized in conjunction with the NMR software of the current benchtop NMR systems, or alternatively as a stand-alone application platform. This software would effectively make chemometric and direct measurement NMR application ubiquitous across all NMR platforms.

A link to this presentation in PDF form is given here: PLS-Regression – 300_80_60_43 MHz NMR of Fish Oil Supplements and Diesel Fuel

A Review of Applications of NMR Spectroscopy in the Petroleum Industry

December 21, 2011 by process nmr Energy, NMR, Process NMR, TD-NMR

John Edwards, principal of Process NMR Associates has authored a chapter entitled “A Review of Applications of NMR Spectroscopy in the Petroleum Industry” which appears in a new ASTM publication: Monograph 9 – Spectroscopic Analysis of Petroleum Products and Lubricants, Edited by Kishore Nadkarni. The chapter describes the application of high resolution 1H and 13C NMR, 1H TD-NMR, and solid-state NMR to petroleum chemistry and refining.

Monograph 9: Spectroscopic Analysis of Petroleum Products and Lubricants

The book can be ordered at the ASTM Bookstore.

Solid-State 13C NMR Analysis of Carbonaceous Materials

September 15, 2008 by process nmr Energy, NMR

Over the past 20 years we have obtained the solid-state NMR analysis of pretty much every carbonaceous material that exists – including coal/oil shales/bitumen, polymers/catalysts/fibers, cellulose/polysaccharides/foodstuffs/gels, deposits/dried sewage/meteorites/soils/clays, etc. With the increased attention to coal liquifaction and gasification technologies we have developed an interest in creating an NMR database for coals. Coals were obtained from the Penn State Coal Sample Bank at a very reasonable cost. We have performed CP-MAS, DD-MAS, Variable Contact Time, and T1 inversion recovery experiments on all the samples. We are currently developing regression relationships between the NMR data and the physical and chemical testing data that is provided with the samples. At some point we will write this up as a journal article. Here are some snippets of data from the coal analysis along with a few results obtained on the menagerie of samples we look at on any given day including some oil shales, engine deposits, refinery coke, asphaltenes, and pipe tobacco.

Solid-State 13C NMR - Illinois #6 Coal