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.
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
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.