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Quantitative Evaluation of Phase Distribution in UHMWPE as Derived from a Combined Use of NMR FID Analysis and Monte Carlo Simulation
Applied Magnetic Resonance ( IF 1.1 ) Pub Date : 2021-12-06 , DOI: 10.1007/s00723-021-01456-6
Eddy Hansen 1 , Alireza Hassani 1, 2
Affiliation  

A new and robust statistical approach is explored with the objective to derive quantitative and reliable information on the molecular dynamics within distinct domains (crystalline, intermediate and amorphous domains) of ultra-high molecular weight polyethylene (UHMWPE). The method consists of a critical evaluation of the free induction decay (FID) model, which is used to generate synthetic FID with a predefined signal-to-noise ratio by Monte Carlo simulations. The application of the method is demonstrated for three UHMWPE samples. A subsequent model fitting of their synthetic FIDs revealed a unique correlation between the error, i.e., standard deviation, of the derived parameters and the FID signal-to-noise ratio (SNRFID). Moreover, it was found that the method can be used to estimate the minimum required sampling time to obtain reliable parameter estimation of the FID model to experimental data.



中文翻译:

结合使用 NMR FID 分析和蒙特卡罗模拟对 UHMWPE 中的相分布进行定量评估

探索了一种新的稳健的统计方法,目的是获得超高分子量聚乙烯 (UHMWPE) 不同域(结晶域、中间域和非晶域)内分子动力学的定量和可靠信息。该方法包括对自由感应衰减 (FID) 模型的关键评估,该模型用于通过蒙特卡罗模拟生成具有预定义信噪比的合成 FID。在三个 UHMWPE 样品中演示了该方法的应用。随后对其合成 FID 进行的模型拟合揭示了导出参数的误差(即标准偏差)与 FID 信噪比 (SNR FID)之间的独特相关性)。此外,发现该方法可用于估计所需的最小采样时间,以获得FID模型对实验数据的可靠参数估计。

更新日期:2021-12-06
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