Compositional Analysis via Magnetic Resonance Relaxation Correlation with a Desktop Permanent Magnet

该RTI赠款支持购买台式磁共振（MR）仪器，用于由申请人开发的新MR弛豫相关测量，允许对固体和半固体材料进行简单的成分分析。该仪器基于低场永磁体，而测量依赖于1H MR信号寿命的测定。该系统将是一个平台，继续发展的新方法，T1-T2* 和T1 rho-T2 * 松弛相关性，并将允许最早和最有利的应用到五个研究领域的当代利益。 传统的时域MR信号寿命测量擅长于液体分析，但当面对固体和固体状混合物时会失败。时域仪器只需要最少的样品制备或不需要样品制备，并且由于非金属样品中容易的RF电磁穿透，因此是“整个样品”测量。用于固体混合物分析的常规方法是表面受限的，例如近红外，或者它们基本上限于结晶材料，例如粉末X射线衍射（PXRD）。我们新的弛豫相关方法极大地扩展了这种经济的低场时域仪器所探测的样品和过程的范围。 MR信号寿命对分子动力学和环境非常敏感。这种新方法允许观察和区分各种固体样物质，除了测量固体混合物中的移动的小分子（例如水或油）外，还将区分结晶和非晶物质（与PXRD不同）。这种新的仪器，再加上我们的方法，将被用来分析五个初始类的固体混合物/材料。(1)固态化学反应，其中固体物质作为试剂共混合，产生固体产物。(2)工业上重要的固体混合物的组成。固体混合的验证，商品化学品的质量控制，包括天然生物聚合物的相态和小分子含量（如水合物）的测定都是工业中的实际分析问题。(3)页岩成分，特别是水和油的含量。直接观察干酪根信号将允许对页岩成熟度进行分级。页岩是传统油气藏的烃源岩，页岩资源的开发给石油工业带来了革命性的变化。(4)木材中的水、油和植物纤维质量含量，以及大麻等高价值植物。植物纤维基质中的液体直接通过1H MR信号寿命进行识别。观察1H固体植物纤维信号，通过平均分子量适当转换为质量，将允许直接测定组分质量百分比而无需称重。(5)电池研究。MR信号寿命分析将允许表征电池运行期间的电解质分解。

This RTI grant supports the purchase of a desktop magnetic resonance (MR) instrument for usage with a new MR relaxation correlation measurement, developed by the applicants, that permits facile compositional analysis of solid and semi-solid materials. The instrument is based on a low-field permanent magnet while the measurement relies on the determination of 1H MR signal lifetimes. This system will be a platform for continued development of the new methodology, T1-T2* and T1rho-T2* relaxation correlation, and will permit the earliest and most advantageous application to five research areas of contemporary interest.    Traditional time domain MR signal lifetime measurements excel for liquid analysis but fail when confronted with solids and solid-like mixtures. Time domain instruments require minimal or no sample preparation and are `whole sample' measurements due to facile RF electromagnetic penetration in non-metallic samples. Conventional methods for solid mixture analysis are either surface limited, for example near-infrared, or they are substantially limited to crystalline materials, for example powder x-ray diffraction (PXRD). Our new relaxation correlation methodologies dramatically expand the range of samples and processes which will be probed by this economical low-field time domain instrument.    MR signal lifetimes are very sensitive to molecular dynamics and environment. The new method permits observation and discrimination of a wide range of solid-like species and will discriminate between crystalline and amorphous species (unlike PXRD) in addition to measuring mobile small molecules, for example water or oil, in mixtures of solids. This new instrument, coupled with our methodology, will be employed to analyze five initial classes of solid mixtures/materials. (1) Solid state chemical reactions where solid species are co-mixed as reagents leading to solid products. (2) Composition of solid mixtures of industrial importance. Verification of solid mixing, quality control of commodity chemicals, including phase of natural biopolymers and determination of small molecule content (such as hydrates) are all practical analytical problems in industry. (3) Shale composition, specifically the water and oil content. Direct observation of kerogen signal will permit grading shale maturity. Shale is the source rock for traditional petroleum reservoirs and exploitation of shale resources has revolutionized the petroleum industry. (4) Water, oil and plant fibre mass content in wood materials, and high-value plants like cannabis. Liquids in the plant fibre matrix are straight forward to identify via 1H MR signal lifetime. Observation of the 1H solid plant fibre signal, with appropriate conversion to mass via an average molecular weight, will permit direct determination of component mass percentage without weighing. (5) Battery Studies. MR signal lifetime analyses will permit characterization of electrolyte decomposition during battery operation.