Archive for September, 2008

Diesel Production Control – Combination of NMR and Simulated Distillation to Yield On-Line Carbon Number Distributions

Sep 23

Posted by processn in NMR, PAT, Process NMR | 2 Comments

Process NMR Associates has developed a database of Simulated Distillation database on a large number of diesel fuels on our Shimadzu 2010-GC with SimDis Software. The analysis is being used to develop distillation prediction models for the process NMR systems as well as explore new avenues of control information that can be derived by combining carbon number distributions obtained from the GC data with the predictive capabilities of online NMR.

For a PDF version of this application article download this: Combination of NMR and Simulated Distillation for Diesel Production Control
NMR and SimDis - Diesels
SimDis of Diesels
Carbon Number Distribution by SimDis - Diesel
SimDis and NMR - Diesel #1
NMR and SimDis - Diesel #2

SimDis and NMR - Diesel #4
NMR and SimDis - Diesel #5
NMR and SimDis - Diesel #6
SimDis and NMR - Diesel #7
SimDis and NMR - Diesel #8

Simulated distillation allows carbon number distributions to be calculated and in combination with chemistry observed in the NMR analysis the effect of aromatics and olefins on the paraffin distributios can be estimated. Online NMR predictions can be established that yield real-time carbon number distributions for production control and sulfur species monitoring.

Contact: Paul Giammatteo Tel: +1 (203) 744-5905

Process NMR Associates Website

Extensive NMR Diesel Database Enhances NMR Model Performance for Unit Control and Product Manufacturing

Sep 23

Posted by processn in NMR, PAT, Process NMR | 2 Comments

An extensive database (10 years) of diesel samples incorporating all refining processes (distillation through product blending) enables development of robust, wide ranging property predictions independent of crude sources and refinery processing. Consistent attention to data integrity enables expanding model ranges well beyond any typical single unit or process operation. The following slides elucidate the consistency in spectra whether obtained 10 years ago or last week, from within a refinery or on a laboratory spectrometer.
NMR of Diesel
NMR - Aromatic Region of Diesels
NMR- Aliphatic Region of Diesel
Hydrotreated Diesels - NMR
Diesel Distillation Model - T50 (F) NMR

Diesel Distillation Model - T90 (F) - NMR

Diesel Flash Model - NMR
Diesel Cloud Point Model - NMR
Diesel T50 Model Online Performance - NMR- 3 Weeks
Diesel Flash Point Model Online Performance - NMR - 3 Weeks
Diesel Cloud Point Model Online Performance - NMR - 3 Weeks
NMR - Diesel Production Control Scheme

If you are interested in finding out more about NMR and diesel production control contact Paul Giammatteo or phone him at +1 (203) 744-5905 – see the Process NMR Associates website for further information

Quantitative NMR Analysis of Wine – qNMR

Sep 15

Posted by processn in NMR | 1 Comment

Here is an example of a 1H NMR analysis of a 2007 Red Wine submitted for chemical analysis by John W.

1H NMR Spectrum - Quantitative Analysis of Wine

1H NMR of Wine - Detailed Component Breakdown

NMR Analysis - Quantitative Component Calculation

If you are interested in wine analysis please contact us.

Solid-State 13C NMR Analysis of Carbonaceous Materials

Sep 15

Posted by processn in Energy, NMR | 1 Comment

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

Solid-State 13C NMR - Hiawatha Coal

Solid-State 13C NMR - Coals: Rosebud and Dietz

Solid-State 13C NMR - Engine Deposits: CCD and IVD

Solid-State 13C NMR - Refinery Coke

Solid-State 13C NMR - Arab Medium Heavy Asphaltene

Solid-State 13C NMR - Pipe Tobacco

Please inquire if you are interested in the details of the above analyses.

60 MHz TD-NMR System

Sep 13

Posted by processn in NMR, TD-NMR | 1 Comment

Process NMR Associates and Spin Resonance Ltd have recently completed the construction a small 60 MHz (1.4T) 5mm TD-NMR system that can be utilized to study T1 and T2 characteristics of novel contrast agents at typical MRI frequencies. Here are a few pictures of the magnet. It is based on N42 neodymium-iron discs (120mm diameter x 30 mm deep).

60 MHz NMR Console - Hahn Echo