Toughened polypropylene with balanced rigidity (II): morphology,melt flow rate and melting point of toughening master batch

The morphology of the toughening master batches (TMBs) for polypropylene (PP) was characterized by means of transmission electron microscopy and polarizing microscopy, and the melt flow rate and melting point were investigated as well. Results indicated that the TMBs prepared by using dynamic vulcanization and polymer–bridge conjunction techniques took on a very special morphology. The morphology of the TMBs was formed through microphase separation with PP component as the continuous phase, shaping very small crystallites and with elastomer component at the dispersed phase having a cellular structure containing some PP. Such a morphological characteristic is essentially different from the packaged morphology formed by flow encapsulation during the process of thermal mechanical blending. The data of melt flow rate showed that the TMBs had good processing properties adequate for being processed into polypropylene composites with both excellent toughness and balanced rigidity. The melting temperature of the TMBs determined by differential thermal analysis is lower than that PP, providing additional evidence of the chemical bonding among some elastomers and PP. Copyright © 2000 John Wiley & Sons, Ltd.     

A bimodal structure of solution-grown isotactic polypropylene with orthogonally crossed lamellae

Isotactic polypropylene (iPP) was crystallized from solution on a uniaxially-oriented iPP film. Small-angle x-ray scattering patterns obtained from the sample showed two perpendicularly crossed lameliae 9.3 nm thick that overgrew flat-on and edge-on on the substrate. In the through wide-angel x-ray diffraction pattern (taken with incident x-rays normal to the iPP film surface), strong hkO reflections were arranged in an hkO net pattern indicating that the a-axis of the monoclinic α unit cell was oriented parallel to the chain direction of the substrate. From this, it was concluded that the flat-on lamellae grew with the a-axis parallel to the chain axis of the substrate and with the b-axis parallel to its surface. In the edge wide-angle x-ray diffraction pattern (X-rays incident on the edge of the film), arced, strong 110 and 220 reflections from overgrown crystals were observed on the equator of the fiber pattern of the substrate. This indicated that the edge-on lamellae epitaxially grew with the c-axis aligned parallel to the chain axis of the substrate. The homoepitaxy explains the correlated growth mode between the orthogonally crossed lamellae: they grew epitaxially, the a-axis of one lamella coinciding with the c-axis of the other and the {010} planes in contact. © 1993 John Wiley & Sons, Inc.     

Enhanced rigidity of recycled polypropylene from packaging waste by compounding with talc and high‐ crystallinity polypropylene

Polypropylene (PP) constituted 30% of the collected material in a Swedish collection system for rigid plastic packaging waste. The PP fraction was however a complex mixture of grades with widely different properties. In order to enhance the rigidity of the recycled PP, modified grades were prepared by compounding with talc and/or a virgin high‐crystallinity PP grade. Adding 20–40% of high‐crystallinity PP enhanced the stiffness and yield strength without impairing the impact resistance. A composite material consisting of 20% of this grade, 20% talc and 60% recycled PP gave mechanical properties similar to those of a commercial talc‐filled PP compound used for demanding engineering applications. The present study demonstrates that recycled PP derived from post‐consumer packaging waste can also be made useful for demanding engineering applications. Copyright © 2001 John Wiley & Sons, Ltd.     

Influence of temperature and fiber structure on the dielectric properties of polypropylene fibrous structures

In this work, dielectric spectroscopy was conducted on five commercial woven polypropylene‐based fabrics. Measurements of dielectric loss tangent, the effective relative dielectric permeability and ac electrical conductivity were performed over a wide range of temperature and frequency. The results in temperature range from 250 K to 355 K showed that the samples with lower value of volume fraction whose yarn is made from a short fiber have a lower value of the above mentioned dielectric parameters than the samples with bigger value of volume fraction and filament yarn along the weft and the warp lines. Based on the results gained from the measurements in the vacuum and ambient conditions, it can be concluded that the samples with a lower value of volume fraction, whose yarn is made from a short fiber, showed stability of dielectric properties in the measurement interval. Copyright © 2014 John Wiley & Sons, Ltd.     

Crystal structure and quantum chemical investigation of 4-(3,4-dichlorphenyl)-1,2,4-triazole

1,2,4-Triazole derivative substituted in the 4th position — 4-(3,4-dichlorphenyl)-1,2,4-tirazole — has been synthesized. Crystal and molecular structure of the compound were determined by single crystal X-ray diffraction. Molecular geometry optimization and effective charge calculations were performed by DFT methods.     

Compatibilized blends of thermoplastic polyurethane (TPU) and polypropylene

Compatibilized blends of thermoplastic polyurethane (TPU) and polypropylene (PP) were developed using amine (primary or secondary) functionalized PP's (PP-g-NH₂ or PP-g-NHR). The strategy of reactive compatibilization is based on fast reactions between amine functional groups and urethane linkages or traces of free isocyanates released by thermal degradation of TPU. Excellent compatibilization between TPU and PP was confirmed by rheological, morphological, and mechanical properties. Much finer domain size, higher interfacial adhesion, and more stable morphologies were clearly observed by scanning electron microscopy. Significant improvements in the overall mechanical properties (tensile, tear, abrasion) imply significantly more reaction between TPU and PP phases in the two TPU/PP blends containing PP-g-NH₂ or PP-g-NHR than a TPU/PP blend using PP-g-MA as a compatibilizing agent.     

Crystallization and phase morphology of injection‐molded isotactic polypropylene (iPP)/syndiotactic polypropylene (sPP) blends

The crystallization and phase morphology of the injection‐molded isotactic polypropylene (iPP)/syndiotactic polypylenen (sPP) blends were studied, focusing on the difference between the skin layer and core layer. The distribution of crystallinity of PPs in the blends calculated based upon the DSC results shows an adverse situation when compared with that in the neat polymer samples. For 50/50 wt % iPP/sPP blend, the SEM results indicated that a dispersed structure in the skin layer and a cocontinuous structure in the core layer were observed. A migration phenomenon that the sPP component with lower crystallization temperature and viscosity move to the core layer, whereas the iPP component with higher crystallization temperature and viscosity move to the skin layer, occurred in the iPP/sPP blend during injection molding process. The phenomenon of low viscosity content migrate to the low shear zone may be due to the crystallization‐induced demixing based upon the significant difference of crystallization temperature in the sPP and iPP. This migration caused the composition inhomogeneity in the blend and influenced the accuracy of crystallinity calculated based upon the initial composition. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 2948–2955, 2007     

Crystal structure and thermal chemical properties of 2-(2,4-dimethylanilino)-3-methyl-6-diethylaminofluorane

The crystal structure of 2-(2,4-dimethylanilino)-3-methyl-6-diethylaminofluorane has been determined by single crystal X-ray diffraction method. The crystal belongs to triclinic system, space group P-1 with unit cell constants a = 11.2877(9) Å, b = 11.9539(9) Å, c = 12.2365(9) Å, α = 97.2580(10)°, β = 116.2850(10)°, γ = 106.3710(10)°, V = 1358.48(18) Å ³, Z = 2, D _c = 1.234 g/cm³, μ = 0.079 mm^?1, F(000) = 536, R and w(R) are 0.0718 and 0.2055, respectively, for 5239 unique reflections with 3745 observed reflections (I > 2σ(I)).     

Chemical-physical aspects of formation and evolution of phase structure in multi-polymers: Intensity fluctuation, phase structure and its fractal characteristics in blends of isotactic polypropylene with poly(cis-1,4-butadiene) rubber

This paper studies the formation and evolution of phase structure of isotactic polypropylene/poly(cis-1,4-butadiene) (iPP/PcBR) blends during molten and mixing in a visual mixer by on-line analysis of the small angle light back scattering. The density fluctuation of iPP/PcBR blends during molten and mixing is discussed using the integral-intensity Js, of the scattering intensity of the blends. The "invariant" Q, which shows fluctuation of the system, is calculated by data of the small angle light back scattering, and the variation of Q with the blending time, temperature and shear rate during molten and mixing in iPP/PcBR blends is discussed. The structure parameters which characterize dimensions of phase in the blends, as the correlation distance ac, and the average chord lengths of two-phase, as li PP and lP cBR, are calculated by data of scattering intensity. The average diameters dp of dispersed phases are calculated from SEM images. The variation of ac, dp, li PP and lP cBR with the blending time and compositions in the blends during molten and mixing is discussed. The scale law is analyzed to find multi-scale characteristics in this system. The generalized fractal dimension Dp is calculated and the relation of Dp with generalized entropy function is discussed to determine that Dp is state function and the physical significance of Dp is the same as that of the generalized entropy function.     

Crystallization,melting and structure of polypropylene/poly(vinylidene-fluoride) blends

Blends were prepared from isotactic polypropylene (iPP) along with its b-nucleated form and poly(vinylidene-fluoride) (PVDF). Melting, and crystallization characteristics as well as structure of the blends were studied by polarized light microscopy (PLM) and differential scanning calorimetry. According to PLM studies, the phase structure of these blends is heterogeneous in the molten state. The temperature range of crystallization of PVDF during cooling is higher than that of iPP. PVDF has a strong α-nucleating effect on iPP. The crystallization of iPP starts on the surface of dispersed PVDF droplets and an α-transcrystalline layer forms on the surface of the crystalline PVDF phase. The iPP matrix crystallizes predominantly in a-form in spite of the presence of a highly active b-nucleating agent. This revised version was published online in August 2006 with corrections to the Cover Date.     

(Chloromethyl)pentacarbonylmanganese(I): a crystal structure with a non-crystallographic centre of symmetry

There are two molecules in the asymmetric unit of the P2₁/c unit cell of ClCH₂Mn(CO)₅, the first halomethyl complex of manganese to be structurally determined. The molecules are crystallographically independent, despite an apparent local centre of symmetry. The average bond parameters include Mn–C_alkyl 2.128(8) Å, C–Cl 1.811(8) Å and Mn–C–Cl 116.4(4)°.     

二维网状银(I)配合物的合成及结构表征

用1,10-二(邻氨基苯氧基)癸烷和AgNO3,进行配位反应得到了配合物[Ag2(L)(NO3)2]η(1).并用元素分析,FT-IR和X-射线单晶衍射进行了表征.结果表明,配合物属于单斜晶系,P21/c空间群,晶胞参数为:a=0.5649(l)nm,b=3.3426(7)nm,c=0.9375 (2) nm,β=99...     

Electronic structure and reactivity of guanylthiourea: A quantum chemical study

Electronic structure analysis of guanylthiourea (GTU) and its isomers has been carried out using quantum chemical methods. Two major tautomeric classes (thione and thiol) have been identified on the potential energy (PE) surface. In both the cases conjugation of pi‐electrons and intramolecular H‐bonds have been found to play a stabilizing role. Various isomers of GTU on its PE surface have been analyzed in two different groups (thione and thiol). The interconversion from the most stable thione conformer ( GTU‐1 ) to the most stable thiol conformer ( GTU‐t1 ) was found to take place via bimolecular process which involves protonation at sulfur atom of GTU‐1 followed by subsequent C? N bond rotation and deprotonation. The detailed analysis of the protonation has been carried out in gas phase and aqueous phase (using CPMC model). Sulfur atom (S1) was found to be the preferred protonation site (over N4) in GTU‐1 in gas phase whereas N4 was found to be the preferred site of protonation in aqueous medium. The mechanism of S‐alkylation reaction in GTU has also been studied. The formation of alkylated analogs of thiol isomers (alkylated guanylthiourea) is believed to take place via bimolecular process which involves alkyl cation attack at S atom followed by C? N bond rotation and deprotonation. The reactive intermediate RS(NH₂)C? N? C(NH₂)₂⁺ belongs to the newly identified ^⊕N(←L)₂ class of species and provides the necessary dynamism for easy conversion of thione to thiol. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010     

Transition from the hierarchical distribution to a homogeneous formation in injection molded isotactic polypropylene (iPP) with dynamic mold temperature control

There is an increasing demand to produce injection molded thermoplastic parts with high performance and more uniform microstructure. In this study, an injection mold with dynamic mold temperature control was developed to create a thermo-mechanical environment in which a high mold temperature and slow cooling rate were retained. Two-dimensional wide angle X-ray diffraction (2D-WAXD) and polarized optical microscopy (POM) studies were carried out to investigate the morphological distribution of isotactic polypropylene (iPP) through the depth. Due to the fast relaxation of polymer chains at a high temperature, the macroscopic orientated structure of iPP in conventional injection molding was eliminated, that is transited from the hierarchical morphology distribution to a more homogeneous formation. A homogeneous appearance without layer boundary was shown and many radial spherulites with loosely packed lamellae distributed uniformly throughout the sample.     

Nucleation of crystallization in isotactic polypropylene and polyoxymethylene with poly(tetrafluoroethylene) particles

Nucleation of crystallization of isotactic polypropylene (iPP) and polyoxymethylene (POM) with dispersed submicron particles of another polymer - poly(tetrafluoroethylene) (PTFE) was studied. The polymers were mixed with various contents of PTFE particles, in the range from 0.005 to 0.5 wt.%. iPP and POM with PTFE particles are all-polymer systems with enhanced nucleation of crystallization. PTFE particles with sizes below 300 nm added to POM and iPP efficiently decreased sizes of polycrystalline aggregates. Moreover, nonisothermal crystallization temperature of iPP by increased by up to 14 °C. iPP and POM with PTFE exhibited the elastic modulus slightly higher, by up to 10-13%, than that of the neat polymers. Other mechanical properties remained unchanged, with the exception of reduced elongation at break of POM with PTFE.     

Thorium compounds with non-metals: Electronic structure, chemical bond, and physicochemical properties

The current state of research on the nature of the chemical bond and the physicochemical properties of binary Th-X (X = H, B, C, N, O, P, S, As, Se, Sb) and ternary (carbonitrides, thorates, and silicates) thorium compounds by modern ab initio methods of the band structure theory is reviewed. The possibilities of the ab initio band structure methods in describing the structural states, phase stability, elasticity characteristics, X-ray emission, absorption, and photoelectron spectra of thorium-containing systems are discussed.     

Hydrothermal preparation,structure and characterizations of noncentrosymmetric LiZnO(IO3)

A new lithium zinc iodate, LiZnO(IO₃), has been prepared by hydrothermal reactions at 200 °C. Single-crystal X-ray diffraction experiment revealed that the compound crystallizes in a noncentrosymmetric orthorhombic space group Ama2 with cell parameters: a = 6.3386(6) Å, b = 11.2613(11) Å, c = 4.6840(5) Å, Z = 4. In the structure, the basic building units are the distorted ZnO₆ octahedron, LiO₄ tetrahedron and the IO₃ group. These groups are linked together to form a three-dimensional structure by sharing the oxygen atoms. The DSC measurement demonstrates that the compound is stable up to 490 °C. Powder second-harmonic generation (SHG) test shows that the SHG effect is about 2 × KH₂PO₄.     

Crystallization behavior and toughening mechanism of poly(ethylene oxide) in polyoxymethylene/poly(ethylene oxide) crystalline/crystalline blends

In this study, the unique crystallization behavior of poly(ethylene oxide) (PEO) in polyoxymethylene (POM)/PEO crystalline/crystalline blends was examined in detail. This study was the first to report the typical fractionated crystallization of PEO in POM/PEO blends when PEO is fewer than 30 wt.%. The delayed crystallization temperature of PEO was confirmed at about 5°C to 14°C by using differential scanning calorimetry and perturbation–correlation moving‐window 2D correlation IR spectroscopy. Wide‐angle X‐ray diffraction indicates that no new crystal structures or co‐crystals were generated in POM/PEO. The statistical calculations of scanning electron microscopy photos show that the average diameter of PEO particles is 0.227 µm to 1.235 µm and that the number of small particles is as many as 10⁹ magnitudes per cm³. Theory analysis establishes that the delayed crystallization of PEO is a heterogeneous nucleation process and not a homogeneous nucleation process. A significant toughening effect of PEO to POM was also observed. The impact strength of POM/PEO acquires a maximum of 10.5 kJ/m² when PEO content is 5%. The impact strength of the blend increases by 78.0% compared with pure POM. To improve the toughening effect, the best particle size is established between 0.352 and 0.718 µm, with a PEO particle spacing of 0.351 µm to 0.323 µm. The number of corresponding particles was 0.887 × 10⁹ per cm3 to 3.240 × 10⁹ per cm³. A PEO toughening model for POM was proposed to provide a new and effective way to solve the problem of POM toughening. Copyright © 2014 John Wiley & Sons, Ltd.     

Stability of mycophenolate mofetil in polypropylene 5% dextrose infusion bags and chemical compatibility associated with the use of the Equashield® closed‐system transfer device

Stability studies are necessary in healthcare settings as they facilitate fast, cost‐effective and efficient work related to batch manufacturing and availability of supplies. We studied the stability of 1–10 mg/mL mycophenolate mofetil (MMF) in polypropylene 5% dextrose infusion bags prepared from Cellcept^® and with a generic brand name (Micofenolato de Mofetilo Accord) at different storage temperatures. To ensure chemical compatibility during preparation, we also tested MMF sorption to the Equashield^® closed‐system drug transfer device used in this step. For this, a validated stability‐indicating high‐performance liquid chromatography method was developed for the quantification and identification of MMF in the infusion bags. The analytical selectivity of the assay was determined by subjecting an MMF sample to extreme values of pH, oxidative stress and heat conditions to force degradation. Protected from light, 1–10 mg/mL MMF in infusion polypropylene bags prepared from reconstituted Cellcept^® 500 mg or Accord 500 mg in 5% dextrose was stable for at least 35 days when stored at 2–8°C or between ?15 and ?25°C, and for 14 days when stored at 25°C. MMF loss owing to chemical sorption to the Equashield^® closed‐system drug transfer device set was negligible.     

Bis(tetraphenylarsonium) hexafluoridotechnetate(IV) dihydrate: preparation,structure and spectroscopic analysis

Reports of quadrivalent transition‐metal fluoride salts containing bulky organic cations are limited. In this context, we prepared the bis(tetraphenylarsonium) hexafluoridotechnetate(IV) dihydrate salt, (C₂₄H₂₀As)₂[TcF₆]·2H₂O, by a cation metathesis reaction of (NH₄)₂[TcF₆] in water. This is the first report of an arsonium salt of the hexafluoridotechnetate(IV) dianion. (AsPh₄)₂[TcF₆]·2H₂O crystallizes in the triclinic space group P. The [TcF₆]^2? anion adopts a slightly distorted octahedral geometry with an average Tc—F bond length of 1.933 Å. The cyclic voltammogram of (AsPh₄)₂[TcF₆]·2H₂O in CH₃CN shows a one‐electron reversible oxidation wave at 1.496 V.