Process NMR

Spectroscopy Application Development


High Field NMR Method Development, Analysis Automation, and NMR Database Implementation

Process NMR Associates has a unique NMR and chemometric background that can facilitate the ability of a high-field NMR spectrometer to determine chemical and physical properties of any given sample either through detailed NMR analysis or by chemometric correlation.

NMR Automation:

Macro driven post processing procedures and calculations can be developed to automate the analysis process for routine as well as complex NMR analytical problems. Process NMR Associates can help in the development of these automated processes. Automation routines can be developed at the customer site or at our Danbury facility.

Sample property predictions based on high field NMR

High field NMR system data can be incorporated into many chemometric models to produce automated analysis or to produce chemical and physical property values when the primary analytical test equipment is not available. For example, if a limited amount of a gasoline sample is available a single high field NMR spectrum obtained at 300 MHz can be used to predict the octane (RON and MON), benzene, total aromatics, olefins, D86 Distillation properties, density, oxygenate content, RVP. This can be done by utilizing chemometric techniques to develop correlations between the NMR spectrum and the respective parameters of interest. 

An important point to note is that at high field one is not limited to the 1H analysis that the on-line process unit is limited to. One can also apply multinuclear NMR models to analytical problems.

Process NMR Associates currently maintains a large database of 300 MHz NMR based chemometric models that can be applied to the analysis of sample limited materials or to expand the range of analytical test results for a customer with limited analytical capabilities. For an idea of the parameters that can predicted please see the various process nmr applications that we have implemented.

Please contact John Edwards if you have any interest in automating your NMR test procedures or to discuss the possibilities of expanding the range of chemical and physical properties that can be obtained on samples for relatively low cost compared to running the appropriate analytical tests.

 PNA Blog