AI Article Synopsis
- A new numerical simulation method called SDNMR-WEBFIT is introduced for analyzing proton spin diffusion NMR, utilizing the Levenberg-Marquardt algorithm and a pseudo-2D diffusion model.
- This method accurately quantifies the dynamic heterogeneity in multiphase polymer systems, measuring key parameters like spin-lattice relaxation time, proton density, lamellar thickness, and spin diffusion coefficient for each component.
- It has been successfully applied to various materials, including semi-crystalline polymers, block copolymers, and plasticized semi-polymers, enhancing our understanding of their structural dynamics.
Article Abstract
A numerical simulation method, namely, SDNMR-WEBFIT, is reported for simulating proton spin diffusion NMR based on the Levenberg-Marquardt algorithm and a pseudo-2D diffusion model. This method is used for the precise quantification of dynamics heterogeneity of the interphase within multiphase polymer systems. The numerical simulation method provides measurements of spin-lattice relaxation time (T), proton density (ρ), lamellar thickness (d), and spin diffusion coefficient (D) for each component. The pseudo-2D diffusion model is employed to simulate the proton spin diffusion build-up/decay curves, simultaneously calculating the lateral fraction of island-like structures (x-ratio). Such approach was successfully applied to various polymer systems, such as semi-crystalline polymer (Poly(ε-caprolactone), PCL), block copolymers (Styrene-butadiene-styrene triblock copolymer, SBS), and plasticized semi-polymers (Polvinyl alcohol, PVA).
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| http://dx.doi.org/10.1016/j.ssnmr.2024.101946 | DOI Listing |
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