Crystallization and mechanical behavior of semi-crystalline polyethylene

Molecular dynamics simulations are employed to study the crystallinity and mechanical properties of multi-chain polyethylene systems. Results show that structural composition (length and number of chains) and temperature lead to different crystallinity, which are obtained by using two general measurement methods, namely chain orientation and global order. The semi-crystalline polyethylene systems are deformed under various mechanical loading modes and at different temperatures representing different polymer states. The stretching temperature and structural composition have a strong influence on the mechanical properties, including elastic modulus, yield stress and inelastic mechanisms. The orientation crystallization caused by the heat treatment stage induces a significant direction effect on the different parts of the large-strain stress-strain response. Besides, the competition of the two main inelastic deformation mechanisms, namely shear yielding and cavitation damage, are revealed during the course of stretching.

Enzymatic depolymerization of highly crystalline polyethylene terephthalate enabled in moist-solid reaction mixtures

Less than 9% of the plastic produced is recycled after use, contributing to the global plastic pollution problem. While polyethylene terephthalate (PET) is one of the most common plastics, its thermomechanical recycling generates a material of lesser quality. Enzymes are highly selective, renewable catalysts active at mild temperatures; however, they lack activity toward the more crystalline forms of PET commonly found in consumer plastics, requiring the energy-expensive melt-amorphization step of PET before enzymatic depolymerization. We report here that, when used in moist-solid reaction mixtures instead of the typical dilute aqueous solutions or slurries, the cutinase from Humicola insolens can directly depolymerize amorphous and crystalline regions of PET equally, without any pretreatment, with a 13-fold higher space-time yield and a 15-fold higher enzyme efficiency than reported in prior studies with high-crystallinity material. Further, this process shows a 26-fold selectivity for terephthalic acid over other hydrolysis products.

Properties of Polyethylene Terephthalate (PET) after Thermo-Oxidative Aging

The influence of the thermo-oxidative aging semi-crystalline polyethylene terephthalate process on the thermal and mechanical properties was analysed in the article. For this purpose, PET was aged at 140 °C for 21, 35 and 56 days. The research showed that as a result of aging, the amount of the crystalline phase increases by about 8%, which translates into the properties of the aged material. The glass transition and melt temperature of lamellar crystals formed during first and second crystallisation increase with aging. The mechanical properties of the material were analysed in the temperature range of 25 to 75 °C. The tests were showing an increase in Young’s modulus and a decrease in elongation at the break as a result of aging. This phenomenon was particularly visible during tests at 75 °C and during the morphological observation of the fracture surface, where the fracture character of the material changes from ductile to brittle. In the case of the material aged for the longest time, the temperature has a negligible influence on the elongation at break.

Tunable Crystalline Phases in UV-Curable PEG-Grafted Ladder-Structured Silsesquioxane/Polyimide Composites

A series of UV-curable hybrid composite blends containing a carboxylic acid functionalized polyimidewith varying amounts of high molecular weight (~1 K) PEG-grafted ladder-structured polysilsesquioxanes copolymerized with methacryl groups were fabricated and their structural, thermal, mechanical, and surface properties characterized. At a composite weight ratio of polyimide above 50 wt.%, a stark shift from amorphous to crystalline polyethylene glycol (PEG) phases were observed, accompanied by a drastic increase in both surface moduli and brittleness index. Moreover, fabricated composites were shown to have a wide range water contact angle, 9.8°–73.8°, attesting to the tunable surface properties of these amphiphilic hybrid polymer composites. The enhanced mechanical properties, combined with the utility of tunable surface hydrophilicity allows for the possible use of these hybrid polymer composites to be utilized as photosensitive polyimide negative photoresists for a myriad of semiconductor patterning processes.

In situ Raman Spectroscopic Observation of Polymer Chains in Semi-Crystalline Polyethylene Solids

In situ Raman spectroscopy is applied for polyethylene solid under various environments to elucidate the morphological and conformational changes. The trans conformation retains up to higher temperature for high-density polyethylene, reflecting higher stability of the orthorhombic crystals composed of stacked trans chains. It is suggested that the conversion of the non-crystalline trans chains to the crystalline phase is the microscopic origin of thermal history in the crystallinity, whereas the transformation between the trans and gauche conformers is practically in thermal equilibrium. Microscopic and dynamic mechanism of deformation during uniaxial stretching is investigated for the molecular orientation and the microscopic load sharing on the crystalline and amorphous chains. Lower crystallinity results in smoother and higher orientation toward the stretching direction, as well as higher load on the amorphous chains, during tensile elongation.

An excess electron at polyethylene/vacuum interfaces using a reaction-field technique

An excess electron in amorphous and crystalline polyethylene-vacuum interfaces. A precise reaction-field method is used to compute the surface states.