Polyethylene, diffusion mechanical properties

Molecular dynamics (MD) is an invaluable tool to study structural and dynamical details of polymer processes at the atomic or molecular level and to link these observations to experimentally accessible macroscopic properties of polymeric materials. For example, in their pioneering studies of MD simulations of polymers, Rigby and Roe in 1987 introduced detailed atomistic modeling of polymers and developed a fundamental understanding of the relationship between macroscopic mechanical properties and molecular dynamic events [183-186]. Over the past 15 years, molecular dynamics have been applied to a number of different polymers to study behavior and mechanical properties [187-193], polymer crystallization [194-196], diffusion of a small-molecule penetrant in an amorphous polymer [197-199], viscoelastic properties [200], blend [201,202] and polymer surface analysis[203-210]. In this article, we discuss MD studies on polyethylene (PE) with up to 120,000 atoms, polyethylproplyene (PEP), atactic polypropylene (aPP) and polyisobutylene (PIB) with up to 12,000 backbone atoms. The purpose of our work has been to interpret the structure and properties of a fine polymer particle stage distinguished from the bulk solid phase by the size and surface to volume ratio. 

Very large areas of membrane are used in an electrodialysis cell and hence they should be as cheap as possible. Thus while the perfluoropolymers have excellent properties, they are too expensive and the membranes used are copolymers of styrene and divinylbenzene. The cation-selective materials are activated by sulphonation while the anion-selective membranes are substituted with quaternary ammonium centres. To give the membranes the required mechanical and dimensional stability, the copolymerization reaction is initiated around a reinforcing mesh or within a porous polyethylene or thermoplastic sheet the first method is generally preferred since it gives membranes of lowest resistance. The ratio of styrene to divinylbenzene determines the extent of crosslinking and hence, after activation, the amount of water absorbed into the polymer. The water creates channels across the membrane through which the ions can diffuse and the quantity of water controls the maximum size of ion which can be transported. 

Poly(lactic acid) (PLA) is a thermoplastic polyester characterized by mechanical and optical properties similar to polystyrene (PS) and polyethylene terephthalate (PET). It is obtained from natural sources, completely biodegradable and compostable in controlled conditions as already stated in previous chapters. PLA offers some key points with respect to classic synthetic polymers, since it is a bioresource and renewable, while raw materials are cheap and abundant compared to oil. From a commercial point of view, a non-secondaiy approach, it can embellish with the word green so fashioned for the major stream consumers. Legislation can also help the commercial diffusion of biopolymers. As an example, a decisive leap has been made with the control of non-biodegradable shopping bags distribution in the European Commission and many of its member states. In addition, PLA has received some interest from the industrial sectors because of its relatively low price and commercial availability compared with other bioplastics. This is the veiy key point for any successful polymer application. In fact, the current price of commercial PLA falls between 1.5 and 2 kg , which is sufficiently close to other polymers like polyolefins, polyesters or poly(vinyl chloride) (PVC). Clearly, the PLA market is still in its infancy, but it is expected that the decrease in the production costs and the improvement in product performance will result in a clear acceleration in the industrial interest for PLA uses. It is estimated that PLA consumption should reach... 

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