NMR Spectrometer In Situ Kinetics and Porous Phase Quantification
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Solution Overview
Problem
Conventional NMR spectroscopy techniques face challenges in accurately measuring the transverse relaxation times of materials within porous structures due to molecular motions and the inability to initiate chemical reactions or transformations in situ, leading to inefficiencies in differentiating constrained and unconstrained materials, especially when dealing with liquids.
Innovation Solution
A method and apparatus that utilize a nuclear magnetic resonance spectrometer to measure the initial and subsequent transverse relaxation decays of a sample with a porous material and a contacting solution, applying radiofrequency pulses and inverse Laplace transformations to determine the amount of a substance within and outside the porous material, while allowing chemical reactions or transformations to occur in situ after sample loading.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If conventional NMR spectroscopy techniques are used to measure transverse relaxation times, then the basic measurement capability is provided, but the accuracy in differentiating constrained and unconstrained materials is insufficient
Solution Approach 1:
The patent segments the transverse relaxation decay into multiple distinct components, each corresponding to different molecular environments (constrained vs. unconstrained materials). By applying multi-exponential fitting to resolve these separate relaxation processes, the method accurately differentiates between materials in different states rather than treating them as a single averaged signal.
Solution Approach 2:
The patent utilizes changes in transverse relaxation time parameters as a function of molecular constraint. By measuring and analyzing how T2 relaxation times vary between constrained and unconstrained phases, the method provides accurate differentiation based on parameter variations rather than relying on signal intensity alone.
2Productivity
If samples are loaded into the NMR spectrometer before chemical reactions or transformations are initiated, then measurement capability is available, but the immediate kinetics or characteristics of the system cannot be measured
Solution Approach 1:
The patent implements preliminary action by pre-loading the sample into the NMR spectrometer and preparing all measurement parameters before the chemical reaction or transformation is initiated. This allows the system to be ready for immediate measurement, capturing the initial kinetics without delay. The measurement capability is established in advance, so when the reaction starts, data collection can begin immediately.
3Quantity of substance
If multi-exponential fits are applied to experimental transverse relaxation decays, then quantification of relative amounts is attempted, but the results are strongly model dependent and not suitable for liquid systems
Solution Approach 1:
The patent changes the approach from model-dependent amplitude fitting to model-independent analysis of transverse relaxation time parameters. By focusing on how T2 relaxation times change with molecular constraint rather than relying on multi-exponential fit amplitudes, the method provides reliable quantification that is not strongly dependent on the specific mathematical model used.
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
Enables accurate determination of the amount of substances within and outside porous materials, measures release kinetics, and performs chemical reactions or transformations in situ, improving the efficiency and accuracy of NMR measurements by allowing immediate kinetics analysis without the delay associated with traditional sample loading processes.
Implementation Method 1
NMR spectroscopy is known as one of the most important diagnostic tools available to scientists and engineers across a wide range of fields
Implementation Method 2
the created nuclear magnetization in the transverse plane decays to zero in a process called transverse relaxation
Implementation Method 3
the overall magnetic moment of a sample is typically characterized as showing the sample has a net nuclear magnetization along the direction of the z-axis
Data Source
AI summary
Methods for measuring physico-chemical properties using a nuclear magnetic resonance spectrometer are disclosed, including methods to determine an initial amount of a substance, usually a liquid, contained inside a porous material and an initial amount of the substance, usually a liquid, present outside the porous material, methods to measure the release kinetics of a substance, such as a liquid, from a porous material, and methods for performing chemical reactions and other physico-chemical operations in situ inside a nuclear magnetic resonance probe after a sample is loaded into a nuclear magnetic resonance spectrometer. The apparatuses for performing these methods are also disclosed.