Geological NMR Structure Analysis Using Multi-Dimensional Inversion
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Solution Overview
Problem
Conventional methods for determining molecular structures of organic molecules in geological formations, such as kerogen or coal, are time-consuming and costly due to their reliance on discrete processes and assumptions of uniform molecular structures, failing to account for the heterogeneity and dynamic variations of molecular mobility.
Innovation Solution
A computer-implemented method that utilizes nuclear magnetic resonance measurements to generate multi-dimensional distributions of intensity as a function of chemical shift and dynamic parameters, applying a Laplace transform to invert intensity measurements and determine molecular structures based on these distributions, thereby simplifying the identification of molecular structures and accounting for variations.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If conventional discrete processes with multiple cutoffs are applied to NMR spectra, then molecular structure determination is achieved, but the process becomes time-consuming and costly
Solution Approach 1:
The patent combines multiple discrete cutoff processes into a single continuous analysis framework. Instead of applying separate cutoffs at different stages, the invention integrates all structural information extraction into one unified Laplace transform-based analysis that processes the entire NMR spectrum simultaneously, eliminating redundant computational steps while maintaining structural determination accuracy
Solution Approach 2:
The patent transforms the traditional one-dimensional spectral intensity analysis into a two-dimensional representation by applying Laplace transform with respect to both frequency and time domains. This dimensional transformation enables simultaneous extraction of multiple structural parameters (chemical shift, relaxation times, exchange rates) from a single transformed spectrum, dramatically reducing the number of separate measurements and computations required
2Device complexity
If conventional techniques assume pure sample with uniform structure, then analysis is simplified, but heterogeneity and dynamic variations of molecular structures are not accounted for
Solution Approach 1:
The patent extends the analysis from single-parameter (chemical shift only) to multi-parameter space by incorporating relaxation times, exchange rates, and concentration ratios as additional dimensions in the Laplace transform. This parameter expansion allows the system to characterize heterogeneous molecular populations with different mobilities and structures simultaneously, capturing dynamic variations that conventional single-parameter methods miss
Solution Approach 2:
The patent explicitly models molecular dynamics by incorporating time-dependent relaxation processes and chemical exchange mechanisms into the analysis framework. The Laplace transform with respect to time allows characterization of mobile and rigid molecular species with different correlation times, capturing the dynamic behavior of molecules in the geological formation rather than assuming static uniform structures
Applied Scientific Principles
This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.
Function Achieved in This Case
This approach simplifies the identification of molecular structures, reduces computational and resource costs, and provides a more accurate representation of structural and dynamic parameters in geological formations by converting NMR data into a multi-dimensional space for analysis.
Implementation Method 1
nuclear magnetic resonance measurements taken at the geological volume of interest
Implementation Method 2
inverting the measurements of intensity at the given chemical shift to provide intensity as a function of the one or more dynamic parameters for the given chemical shift, wherein such inversion comprises performance of a Laplace transform
Data Source
AI summary
Molecular structures of organic molecules in a geological formation are determined. The organic molecules may include kerogen, coal, and/or other organic molecules. In particular, the technique implemented may operate to convert nuclear magnetic resonance data into a multi-dimensional space that permits identification of molecular structures through comparisons of intensity information across the multi-dimensional space with a cutoff map of the space. This may not only simplify the identification of molecular structures of the organic molecules, but also use exact mathematical model for mixture samples to derive both structural and dynamic parameters plus their variation.