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Isotactic polypropylene (iPP) is a frequently used polymer in industrial processing and scientific research, used as a model material. This review highlights some current and forefront issues in polymer science and engineering. This review alludes to classical deformation schemes to interpret the complicated deformation in isotactic polypropylene as a semicrystalline polymer. Also, due to the complex hierarchical structures of crystallized polymers, the progress on the multiscale and multistage microstructural evolution covering each deformation stage from the initiation of plasticity until failure is mainly concerned, particularly in terms of crystalline morphology changes. Specifically, the characterization of the microstructure evolution of a single spherulite, lamella, and chain of isotactic polypropylene will be emphasized and mentioned. Here, the authors are most interested in the results obtained from stretching (strain‐induced) orientation and crystallization studies accompanied by the in situ scattering and spectroscopy techniques offering a detection window from nano to micrometer scale, which should be able to reflect the microstructural changes at different length scales of interest. During polymer processing, the melts are frequently subjected to shear or/and elongation flow fields, producing flow‐induced molecular chain orientation in the melt. The oriented molecular chains crystallize differently than those encountered under quiescent conditions. Thus, orientation‐induced crystallization has long been an object of intense interest. A vast body of research is reported about the effects of preorientation on the crystallization of various polymers. Among them, iPP is most frequently studied since its diversified structure and morphology are very sensitive to changes in processing conditions and molecular parameters. [ABSTRACT FROM AUTHOR]

Abstract: We derived the analytical solution of the eigenvalue problem for stereo-regular vinyl chains, such as stereo-regular polypropylene chains. The solution is applicable to all stereo-regular polymers of the type (AB) x which do not have symmetry between gauche + and gauche − states, and to polymers, such as polyoxymethylene or polydimethylsiloxane, for which symmetry between the gauche + and gauche − states does exist. For symmetric chains, the general solution of the eigenvalue problem is reduced to the known solution for polyoxymethylene chains. To illustrate the method the calculations have been performed for the three rotational states (trans, gauche + and gauche −) model, but the general algebraic solution is applicable for any ν rotational states models of polymer chains. We used the analytical solution of the eigenvalue problem to calculate numerically elastic properties of stereo-regular polypropylene chains within the framework of Mark–Curro theory (J Chem Phys, 79, 5705, 1983). [Copyright &y& Elsevier]

Abstract: The elastomeric properties of networks of stereoregular polypropylenes (PP) filled with spherical nanoparticles have been modeled in an attempt to obtain better insights into elastomer reinforcement. The polymers were either isotactic or syndiotactic PP in the amorphous state, and the simulations were based on rotational isomeric state (RIS) theory combined with the largest eigenvalue method for deriving conditional bond probabilities. Monte Carlo simulations gave distributions of the end-to-end distance of these chains in the presence of the particles, and these were used in the Mark–Curro theoretical approach to calculate values of the normalized stress, and the reduced stress (shear modulus) under uniaxial stretching. The simulations were calculated for PP chains having 100–200 skeletal bonds, for several temperatures from 481 to 650K, and for varying filler particle sizes (up to 100Å). The presence of the filler nanoparticles was found to influence chain conformations, frequently leading to significant chain extensions, which significantly affect the elastomeric properties of the nanocomposites. [Copyright &y& Elsevier]