Polymer crystal structures

Aerts, J. (1996). Polymer crystal silverware a fast method for the prediction of polymer crystal structures. Polym. Bull, 36, 645-52. [182]... 

Materials Studio A software for modeling and simulation of crystal structure, polymer properties, and structure-activity relationships (http //www.accelrys.com/products/mstudio)... 

For crystalline polymers, the bulk modulus can be obtained from band-structure calculations. Molecular mechanics calculations can also be used, provided that the crystal structure was optimized with the same method. 

Polyethylene. The crystal structure of this polymer is essentially the same as those of linear alkanes containing 20-40 carbon atoms, and the values of Tjj and AHf j are what would be expected on the basis of an extrapolation from data on the alkanes. Since there are no chain substituents or intermolecular forces other than London forces in polyethylene, we shall compare other polymers to it as a reference substance. 

The polymers compared all have similar crystal structures but are different from polyethylene, which excludes the possibility for also including the latter in this series. Also note that the isotactic structure of these molecules permits crystallinity in the first place. With less regular microstructure, crystallization would not occur at all. 

Figure 4.10 Crystal structure of polyethylene (a) unit cell shown in relation to chains and (b) view of unit cell perpendicular to the chain axis. [Reprinted from C. W. Bunn, Fibers from Synthetic Polymers, R. Hill (Ed.), Elsevier, Amsterdam, 1953.]...

Crystal Structure. The crystal stmcture of PVDC is fairly well estabhshed. Several unit cells have been proposed (63). The unit cell contains four monomer units with two monomer units per repeat distance. The calculated density, 1.96 g/cm, is higher than the experimental values, which are 1.80—1.94 g/cm at 25°C, depending on the sample. This is usually the case with crystalline polymers because samples of 100% crystallinity usually cannot be obtained. A dkect calculation of the polymer density from volume changes during polymerization yields a value of 1.97 g/cm (64). If this value is correct, the unit cell densities may be low. 

Oxazolidine-4,5-dione, At-benzoyl-synthesis, 6, 231 Oxazolidinediones reactions, 6, 214 structure, 6, 179 Oxazolidine-2,4-diones as anticonvulsants, 1, 166 NMI 6, 181 reactions, 6, 214 s mthesis, 6, 231 OxazoIidine-2,5-diones crystal structure, 6, 185 reactions, 6, 214 polymers, 1, 307 s mthesis, 6, 231 Oxazolidine-4,5-diones synthesis, 6, 231 Oxazolidines... 

Oxetane, 2-(o -chlorobenzyl)-2-phenyl-X-ray crystal structure, 7, 366 Oxetane, 3-chloromethyl-3-ethyl-ring strain, 7, 370-371 Oxetane, 2-(o-chlorophenyl)- H NMR, 7, 367 Oxetane, 2-cyano-synthesis, 7, 391-392 Oxetane, 2-cyano-3,3-dimethyl-2-phenyl-thermolysis, 7, 372 Oxetane, 2,2-dialkoxy-synthesis, 7, 396 Oxetane, 2,2-dialkyl-isomerization, 7, 377 Oxetane, 3,3-dialkyl-alkylative cleavage, 7, 381 polymers, 7, 382 Oxetane, 2-diethylamino-synthesis, 7, 390 Oxetane, 3,3-difluoro-molecular dimensions, 7, 365 Oxetane, 2,2-dimethyl-mass spectra, 7, 368-369 photolysis, 7, 373 synthesis, 7, 393 Oxetane, 2,3-dimethyl- H NMR, 7, 366 thermolysis, 7, 372 Oxetane, 2,4-dimethyl-mass spectrum, 7, 369... 

Polymers are a little more complicated. The drop in modulus (like the increase in creep rate) is caused by the increased ease with which molecules can slip past each other. In metals, which have a crystal structure, this reflects the increasing number of vacancies and the increased rate at which atoms jump into them. In polymers, which are amorphous, it reflects the increase in free volume which gives an increase in the rate of reptation. Then the shift factor is given, not by eqn. (23.11) but by... 

Three common uses of RBS analysis exist quantitative depth profiling, areal concentration measurements (atoms/cm ), and crystal quality and impurity lattice site analysis. Its primary application is quantitative depth profiling of semiconductor thin films and multilayered structures. It is also used to measure contaminants and to study crystal structures, also primarily in semiconductor materials. Other applications include depth profilii of polymers, high-T superconductors, optical coatings, and catalyst particles. ... 

Polymers can exist in a number of states. They may be amorphous resins, rubbers or fluids or they can be crystalline structures. TTie molecular and the crystal structures can be monoaxially or biaxially oriented. Heterogeneous blends of polymers in different states of aggregation enable materials to be produced with combinations of properties not shown by single polymers. 

Compared with most other crystalline polymers the permeability of P4MP1 is rather high. This is no doubt due to the ability of gas molecules to pass through the open crystal structure with the large molecular spacing. 

In addition to the nucleating agents discussed in Section 18.4, many other materials have been found to be effective. Whilst the nylons may be self-nucleating, partieularly if there is some unmelted crystal structure, seeding with higher melting point polymers can be effective. Thus nylon 66 and poly(ethylene terephthalate) are reported to be especially attractive for nylon 6. 

The crystalline structure of bis-phenol A polymers has been thoroughly studied by Prietschk and some of the data he obtained on the crystal structure are summarised in Table 20.1. 

SN) c is much more stable than its precursor S2N2. When heated in air it decomposes explosively at about 240°C but it sublimes readily in vacuum at about 135°. The crystal structure reveals an almost planar chain polymer with the dimensions shown in Fig. 15.36. The S and N atoms deviate by about 17 pm from the mean plane. The structure should be compared... 

Some polymer is also formed but this can be converted into the bicyclic S11N2 by refluxing in CS2. The X-ray crystal structure (Fig. 15.37b) shows that the 2 N atoms are planar.This has been interpreted in terms of sp hybridization at N, with some delocalization of the p. lone-pair of electrons into S-based orbitals, thus explaining the considerably diminished donor power of the molecule. S11N2 is stable at room temperature but begins to decompose when heated above 145°. 

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