Zhou, Hui published the artcileThe nucleation mechanism of 1-N’,3-N’-dibenzoylbenzene-1,4-dicarbohydrazide as a nucleating agent for isotactic polypropylene, Category: esters-buliding-blocks, the publication is Journal of Polymer Research (2022), 29(7), 283, database is CAplus.
A novel nucleating agent (NA) 1-N’,3-N’-dibenzoylbenzene-1,4-dicarbohydrazide (PTADH-Ph-3) for isotactic polypropylene (iPP) was synthesized and the structure of the synthesized product was characterized by Fourier transform IR spectroscopy (FT-IR), proton NMR spectroscopy (1H-NMR) and high resolution mass spectrometry (HRMS). The results showed that the target compound was successfully synthesized. Differential scanning calorimeter (DSC) was used to study the influence of the addition concentration of PTADH-Ph-3 and the final heating temperature (Tf) on the crystallization behavior of iPP. The results showed that the crystallization behavior of nucleated iPP had no relationship with Tf no matter how much PTADH-Ph-3 was added. This shows that PTADH-Ph-3 is not a solution-type NA, so its nucleation mechanism belongs to the traditional heterogeneous crystallization The nucleation mechanism of PTADH-Ph-3 in iPP was explored through Materials Studio (MS) simulation. Firstly, the mol. dynamics (MD) of PTADH-Ph-3 and iPP were calculated mainly by MS. The calculation results showed that the interaction force between PTADH-Ph-3 and iPP mols. was 14.447 kcal mol-1, indicating that PTADH-Ph-3 has a better adsorption effect on the iPP surface, which can promote the epitaxial crystallization of iPP. The calculated results show that the lattice mismatch between PTADH-Ph-3 and iPP is only 0.03% and 2.28%, which is far lower than the strict upper limit of 10-15% geometric mismatch in the crystal lattice matching theory.
Journal of Polymer Research published new progress about 31570-04-4. 31570-04-4 belongs to esters-buliding-blocks, auxiliary class Mono-phosphine Ligands, name is Tris(2,4-di-tert-butylphenyl) phosphite, and the molecular formula is C8H8O3, Category: esters-buliding-blocks.
Referemce:
https://en.wikipedia.org/wiki/Ester,
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