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You are here: Home / Archives for NMR

1H NMR Analysis of Hard Apple Cider

October 31, 2008 by process nmr NMR

There have been quite a lot of NMR studies centered around apple cider (non-alcoholic) and apple cider vinegar. However a search of the literature turns up no reference for NMR analysis of hard apple cider. This effort was undertaken to analyse the alcohol content of the ciders and to determine the malic and acetic acid content. Ciders were produced by Dr Tim McMahon of Orange Community College, NY….for his own consumption.

Below are the NMR spectra obtained by regular 1H acquisition and with BINOM solvent suppression.

Data was obtained on our Varian 300 MHz spectrometer. Samples were prepared by degassing followed by addition of 1 drop of D2O as lock solvent.

Hard Cider #1 - NMR Analysis - Full Spectrum
Hard Cider #1 - Expansion NMR
Hard Cider #1 - Detailed Chemistry - 1H NMR
Hard Cider #2 - 1H NMR
Hard Cider #2 - Detailed Chemistry - 1H NMR

Micro-ESR Spectrometry of Crude Oils

October 31, 2008 by process nmr NMR

Process NMR Associates, LLC (Danbury CT) and Active Spectrum, Inc (San Carlos CA) are collaborating in the application of micro-ESR technology to petroleum applications. The initial work has focussed on crude oils but will soon be expanded to residues and cracker feedstocks.

Five samples of crude oil were tested by Micro-ESR spectrometry. The samples were:

1. Vasconia, Magdalena Basin, Columbia (V=39 ppm)
2. Merey, Eastern Venezuela Basin, Venezuela (V=303 ppm)
3. Oriente, Oriente Basin, Ecuador (V=65 ppm)
4. Qua Iboe, Agbada Formation, Niger Delta (V=2 ppm)
5. Basrah Light, Zubair Zone, Iraq (V=29 ppm)

The following spectra were observed:

Micro-ESR Spectra of Crude Oils

Figure 1: Micro-ESR Spectra of Crude Oil

The central peak is a combination of a persistent carbon-centered organic radical (g = 2.003) found in asphaltenes, and a vanadyl (VO2+) peak. The additional smaller peaks are associated with vanadyl only.

For producers, the technique could be used to rapidly measure asphaltene concentration on-line. The spin density of the organic radical is a function of the maturity of the oil and will of course vary between deposits. Notwithstanding, rapid electronic measurement of asphaltenes remains a topic of great interest. Similar techniques have also been used to assess the quality of coals. For refiners, vanadium is a contaminant that poisons the refinery catalyst. ESR has been used by refiners since 1962 to rapidly measure vanadium content in crude oil feedstocks both on-line and in laboratories. Active Spectrum Inc.

Residual Catalytic Cracking (RCC) – Feedstream Analysis by NMR

October 31, 2008 by process nmr NMR

Current Technique for Feedstream Analysis:
Analysis Performed

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

September 23, 2008 by process nmr NMR, PAT, Process NMR

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
NMR and Simulated Distillation - Diesel #3
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

September 23, 2008 by process nmr NMR, PAT, Process NMR

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 - T50 (C) - NMR
Diesel Distillation Model - T90 (F) - NMR
Diesel Distillation Model - T90 (C) - 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

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