Impact of Carbonyl Group Incorporation in Semicrystalline High-Density Polyethylene

Abstract

This Dataset comprises the raw data contained in the figures of our journal article in Macromolecules (DOI: 10.1021/acs.macromol.5c02288 ) and its Supporting Information (SI). We provide a preprint of the initially submitted article including the SI for reference to the figures and their captions, necessary to use the data. Note that a few figures have changed upon revision, so please also check the published article. For copyright details and licensing we refer to the published article and the publisher. Here is the abstract of the article: Ketone-functionalization of polyethylene via copolymerization with carbon monoxide offers a promising route to introducing reactive carbonyl moieties while preserving the advantageous bulk properties of high-density polyethylene (HDPE). Here, we systematically investigate the influence of low-level (0.6-1.6 mol-%) keto incorporation on the thermal properties, semicrystalline morphology, crystallization, and chain dynamics of HDPE. Differential scanning calorimetry and small angle X-ray scattering reveal only minor reductions in melting temperature and lamellar thickness. Complementarily, 1H NMR FID measurements reveal that KetoPE samples exhibit crystallinity-temperature profiles comparable to HDPE, indicating that the semicrystalline morphology is mainly preserved upon keto incorporation up to a few percent. Importantly, 13C T1 relaxation quantitatively confirms that intracrystalline chain diffusion coefficients are essentially unchanged. Notably, 1H spin-diffusion NMR confirms that presumably the isolated carbonyl moieties predominantly reside in the interphase. Thus, low-level ketone incorporation imparts additional reactivity or adhesion potential without compromising HDPE's mechanical or thermal integrity.