Geological NMR Structure Mapping for Heterogeneous Organic Mixtures
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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 pure samples, failing to account for the heterogeneity and dynamic variations of molecular structures and mobility.
Innovation Solution
The method involves converting nuclear magnetic resonance data into a multi-dimensional space for identifying molecular structures through comparisons of intensity and shape information, using a cutoff map to derive both structural and dynamic parameters, including variations, by applying transformations to chemical shift spectra parameterized by mixing times and dynamic parameters.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If conventional discrete processes are used for determining molecular structures, then measurement precision may be maintained, but time consumption and cost increase significantly
Solution Approach 1:
The patent combines multiple discrete NMR measurement processes into a single continuous experiment that simultaneously collects data for multiple molecular structure parameters. By merging the acquisition of chemical shift, relaxation time, and diffusion coefficient data into one integrated NMR sequence, the method eliminates the need for separate discrete measurements, thereby reducing total determination time while maintaining comprehensive molecular structure analysis capability
Solution Approach 2:
The patent transforms the analysis from conventional one-dimensional spectral interpretation to multi-dimensional parameter space analysis. By representing molecular structures in terms of multiple simultaneous parameters (chemical shift, relaxation time, diffusion coefficient) and using pattern recognition in this expanded dimensional space, the method achieves faster identification without sacrificing precision
2Measurement precision
If conventional methods assume pure samples, then analysis simplicity is maintained, but accuracy decreases due to failure to account for heterogeneity
Solution Approach 1:
The patent changes the approach from assuming uniform sample composition to measuring and analyzing variations in multiple parameters simultaneously. By collecting data on chemical shift, relaxation time, and diffusion coefficient that naturally vary across different molecular environments, the method captures sample heterogeneity without requiring complex preprocessing or purification steps
Solution Approach 2:
The patent creates a comprehensive data representation that copies and preserves the full complexity of the heterogeneous sample through multiple simultaneous measurements. Rather than simplifying the sample assumption, the method creates a multi-parameter data model that mirrors the actual sample diversity, enabling accurate analysis of complex mixtures
3Productivity
If conventional discrete processes are used, then individual parameters can be measured, but overall productivity decreases due to sequential processing
Solution Approach 1:
The patent implements continuous data collection throughout the NMR experiment, where multiple parameters are measured simultaneously in an uninterrupted sequence rather than through discrete stop-and-start measurements. The NMR pulse sequence continuously accumulates information on chemical shift, relaxation, and diffusion properties, maximizing the utility of each measurement period and significantly improving determination throughput
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, accurately accounting for variations and mobility, reducing computational and resource costs while providing a precise mathematical model for mixture samples.
Implementation Method 1
nuclear magnetic resonance measurements taken at the geological formation
Data Source
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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 implmented 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.