A Monte Carlo simulation study of the mechanical and conformational properties of networks of helical polymers. I. General concepts

We study the mechanical and conformational properties of networks of helical polymers with a combination of Monte Carlo simulations based on the Wang-Landau algorithm and the three-chain model. We find that the stress-strain behavior of these networks has novel features not observed in typical networks made of synthetic polymers. In particular, we find that as these networks are stretched they first strengthen, then soften and finally strengthen again. This non-monotonic behavior of the stress correlates with the one of the helical content and is rationalized by the elongation-induced formation and melting of the helical structure of the polymer. We complement these results with a study of other conformational properties of the polymer strands that clarify the molecular mechanisms behind the mechanical behavior of these networks. Finally, we present a qualitative comparison of some of our results with the theoretical ones recently reported by Kutter and Terentjev.     

Biodegradable hollow microfibres to produce bioactive scaffolds

Biodegradable hollow microfibres containing particles loaded with specific active agents can be potentially employed to produce a special kind of substrate for tissue engineering, able to function as a scaffold and at the same time to act as a drug‐releasing system. Biodegradable hollow microfibres based on poly(lactic acid) were produced by a dry–wet spinning procedure. Drug‐loaded microparticles were prepared by a simple oil‐in‐water emulsion and entrapped inside the fibres. The morphology of both fibres and particles was investigated by scanning electron microscopy. The mechanical and thermal properties of the fibres were investigated by tensile tests and differential scanning calorimetry. In vitro tests were performed to evaluate the release of the drug from the fibres loaded with the particles Copyright © 2004 Society of Chemical Industry     

Phase transition of LCP fluids confined in nanochannels through MD simulation

Manipulation of molecular orientation alignment in MCTLCPs (main-chain thermotropic liquid crystalline polymers) by pure shear at nano scale has been investigated for the first time using molecular dynamics (MD) simulation. Results indicate that high planar shear induces long-range uniform orientation ordering (liquid crystalline phase) of initially randomly orientated molecules of MCTLCP fluid confined in a nanochannel, which is confirmed by analyzing the orientation order parameter and the snapshots of MCTLCP liquid in a nanochannel under different shear rates. Insights into the origin of the phase transition phenomena are given at molecular level through investigating the thermodynamic density distribution of MCTLCP molecules in the nanochannel, suggesting that the energy shift due to a radical jump of system density affects both the magnitude and the orientation of the molecular ordering. Simulation results also show that there is a critical shear rate for transforming isotropic phase into liquid crystalline phase. The critical shear rate is dependent on the temperature of the MCTLCP system. Findings in this paper may present useful information for processing TLCP molecules at nano scale and the understanding of nanoflow.     

Nanocrystalline TiO2 photosensitized with natural polymers with enhanced efficiency from 400 to 600 nm

TiO₂ sensitization for solar applications requires not only efficient but also stable and inexpensive sensitizers. Different condensed tannins extracted from bark wastes of tropical wood trees were studied as possible sensitizers of TiO₂. These natural polymers adhere strongly to the TiO₂ even from aqueous solutions. Absorption spectra are presented for 1 mM aqueous sensitizing solutions prepared with lyophilized condensed tannins which absorb light in the visible range. Spectral photocurrent measurements and I–V characterization show that no bias is required for electron injection to the TiO₂ from all studied condensed tannins. Incident photon to current efficiency (IPCE) analysis indicates that surface complexation originates absorption bands with different electron injection efficiencies. These play a dominant role in determining IPCE spectral shape. We propose that surface modification by the sensitizer changes the surface trap density, thereby decreasing recombination losses.     

Deflection Calculation of FRP Reinforced Concrete Beams Based on Modifications to the Existing Branson Equation

Fundamental concepts of tension stiffening are used to explain why Branson’s equation for the effective moment of inertia Ie does not predict deflection well for fiber reinforced polymer (FRP) reinforced concrete beams. The tension stiffening component in Branson’s equation is shown to depend on the ratio of gross-to-cracked moment of inertia (Ig/Icr), and gives too much tension stiffening for beams with an Ig/Icr ratio greater than 3. FRP beams typically have an Ig/Icr ratio greater than 5, leading to a much stiffer response and underprediction of computed deflections as observed by others in the past. One common approach to computing deflection of FRP reinforced concrete beams has been to use a modified form of the Branson equation. This paper presents a rational development of appropriate modification factors needed to reduce the tension stiffening component in Branson’s original expression to realistic levels. Computed deflections using this approach give reasonable results with the right modification factor, and compare well with a more general unified approach that incorporates a realistic tension stiffening model. Comparison is made with the existing and past correction factors recommended by ACI 440 for predicting deflection of FRP beams. The method presently used by ACI 440 gives reasonable estimates of deflection for glass and carbon FRP reinforced beams. However, this method underestimates deflection of aramid FRP reinforced beams and is restricted to rectangular sections. A proposal is made for adoption of a simple modification factor that works well for all types of FRP bar and beam cross-sectional shape.     

Proposed Design of a CFRP Flange-to-Flange Connection for Precast Prestressed Double Tee Systems

The current methods of connecting the flanges of precast double tee members, and their respective short comings in specific situations, are described. A new carbon fiber-reinforced polymer (CFRP) flange-to-flange connection is proposed to eliminate the problems associated with repair requirements for the current connections. Design expressions for the currently used mechanical anchorage and the proposed CFRP connection are presented. A comparative calculation for the two systems is given.     

聚合物复合材料填充剂的改性

在前人研究的基础之上，归纳总结了聚合物复合材料填充剂的种类，综述了对其进行表面改性的目的、条件、方法、工艺以及对改性结果的表征等。文章还分析了影响填充聚合物复合材料性能的因素，指出了今后发展的方向。     

抗氧剂于有机PTC热敏导电材料性能的稳定作用研究

探讨了抗氧剂在聚乙烯 乙烯 醋酸乙烯酯共聚物 炭黑 (PE EVA CB)体系中的作用。结果表明 ,在体系中加入抗氧剂可以提高材料体系的结构稳定性 ,从而可以在一定程度上改善材料的热电稳定性。当在体系中加入 2 .0 %(w)的抗氧剂时可收到良好效果。