{Reference Type}: Journal Article
{Title}: A Numerical simulation method for analyzing 1H spin diffusion NMR for Multicomponent and multiphase polymer systems.
{Author}: Jin X;Chen W;
{Journal}: Solid State Nucl Magn Reson
{Volume}: 132
{Issue}: 0
{Year}: 2024 Jun 26
{Factor}: 2.812
{DOI}: 10.1016/j.ssnmr.2024.101946
{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 (T1), proton density (ρH), 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).