石墨纳米片/聚乙烯复合物分子动力学模拟

通过分子动力学模拟对石墨纳米片（GNP）/聚乙烯（PE）复合物的结构、力学和气体输运性质进行计算研究,分析其随模拟温度和GNP填充量的变化规律,探讨纳米界面形成、复合机制及结构与特性的关系。GNP/PE复合物呈现二维结构,GNP趋向于平面取向排列并通过范德华力和纳米石墨片层表面上的碳氢-π键使周围几个原子尺度内的PE分子固化为有序原子层,而PE基体仍然为各向同性的无定形结构。GNP/PE界面上纳米复合作用使体系能量降低,与PE体系相比,GNP/PE的杨氏模量和泊松比分别显著增高和降低。GNP平面取向导致GNP/PE的力学特性表现出二维各向异性的弹性常数张量,在石墨纳米片层平面方向上的杨氏模量明显增高,并且随温度的降低和GNP填充量的提高而增大,填充GNP有效改善了GNP/PE的力学性质。GNP/PE复合物的气体输运性质明显受到填充GNP的气体阻隔和取向的影响并且对3种气体渗透没有明显的选择性。GNP与基体的纳米复合导致N₂、O₂和CO₂的分子输运呈现二维各向异性,随着石墨纳米颗粒填充量的增加,取向GNP层面方向的扩散系数比垂直方向高5~8倍,可用于气体分子屏障与渗流控制。     

电沉积溶液浓度及温度对修复混凝土裂缝的影响

研究了电沉积法修复混凝土裂缝中溶液浓度及温度的影响,测定了电沉积过程中的试件质量增加率、表面覆盖率、裂缝愈合率及裂缝填充深度.结果表明,表面覆盖率、裂缝愈合率随电沉积溶液浓度的增加而降低,而裂缝填充深度随浓度的增加而增大,质量增加率随浓度的变化无明显规律;表面覆盖率随电沉积溶液温度的升高而减小,裂缝愈合率随温度的升高而增大,质量增加率随温度变化的规律不明显,温度对裂缝填充深度的影响较小.     

高密度聚乙烯/石墨半导体复合物的压阻特性

研究了聚乙烯/石墨半导体复合物(HDPE/GP) 在轴向压力下的压阻特性。结果表明, 这种复合物的导电性有较显著的压力依赖性。在低压力范围内电阻随压力增加而降低, 在较高压力下则随压力增大而升高, 呈现出所谓的“电阻负压力系数(N PCR ) ”和“正压力系数(PPCR ) ”效应。电阻的压力依赖性, 以及在恒压力作用下表现出来的“电阻蠕变”行为, 被认为与导电粒子网络在应力作用下的破坏与重组有关。      

填充系数和硫化温度对发泡橡胶的硫化/发泡过程、泡孔形态和动态力学性能的影响

考察了填充系数和硫化温度对发泡乙丙橡胶硫化/发泡过程、泡孔形态及其动态力学性能的影响.结果表明,填充系数和硫化温度对发泡压力、硫化时间和硫化转矩有明显影响.随填充系数增加,或硫化温度升高,泡孔面积逐渐减小,动态模量G′,G″呈减小趋势,损耗因子tanδ呈增加趋势.高填充系数的发泡橡胶具有较好的温度、应变稳定性,而且G″-频率曲线斜率高于低填充系数橡胶,表明前者具有较小且均匀的发泡结构,与显微镜结果相符.填充系数0.875时G″-应变曲线出现两个峰,第二个峰是由于应变破坏泡孔造成的.硫化温度对低填充系数橡胶动态力学性能的影响较大.     

超临界态二氧化碳流体热力学性质的分子动力学模拟北大核心CSCD

采用恒温恒压(NPT)系综分子动力学模拟方法,模拟预测了超临界态区间内(温度600—900 K,压力30—100 MPa)CO_(2)流体的热力学特性(密度和比定压热容),同时对比研究了4种典型的半经验型力场的预测性能。结果表明:4种力场在超临界态热力区间内对CO_(2)流体的密度和比定压热容特性均具有较好的预测精度,其中密度的预测偏差在3%以内,而比定压热容的预测偏差在1%以内。相比单点粗粒化SAFT-γ力场,具有更多参数自由度的全原子力场对超临界区间内流体热物性的预测并不具有显著优势,这表明其力场参数对于超临界态物性的预测而言并非最优解。EPM2和Zhang力场对CO_(2)流体密度和比定压热容的预测偏差均随温度的升高而减小,表明此两种力场可用于更高温度工况下热力学特性的模拟预测。     

超音速条件下基于CFD的压力探针校准特性数值模拟

对超音速条件下倒角型总压探针的校准特性进行了数值模拟研究,并对影响校准特性的关键影响量进行了分析,得到了总压系数随着位置、压力、总温、马赫数几个关键参数的变化规律。数值模拟结果和实验结果进行了对比,二者较为接近。研究结果表明,安装位置的选择对倒角总压探针总压系数影响较大,探针的安装位置越接近风洞上游,总压系数绝对值越小;倒角型总压探针总压系数的绝对值随温度和压力的升高而减小,随马赫数的升高而增大。     

超临界甲烷在印刷电路板换热器中加热过程模拟

印刷电路板换热器(Printed Circuit Heat Exchanger,PCHE)是一种新型微通道换热器,其换热的高效性和集成性非常适合用于LNG接收站的中间流体换热器(IFV)中。对超临界甲烷在PCHE中的对流换热进行数值模拟,研究了质量流量、入口压力、热通量及通道形状对微通道内甲烷换热系数的影响。结果表明,表面换热系数随温度的变化先增大再减小,并在假临界温度处达到最大值;PCHE半圆形通道内的换热特性高于普通圆形通道;其换热系数随流速的增加而增加;随热流密度的增加而增加;压力对换热特性的影响与介质所处的温度区间有关。     

超临界二氧化碳在套管内换热的实验研究

对超临界CO2在套管内的换热特性进行了实验研究,探讨了超临界CO2换热过程中,质量流率、压力和入口温度的变化对换热性能特性和压降的影响。实验得出,换热系数随着质量流率的增加而增加;而换热系数随压力的增加而减少;入口温度的变化对换热系数基本没有影响;压降随着入口温度的升高而逐渐增大;并给出了Re和Nu数的变化规律。研究为超临界二氧化碳换热器的设计提供了依据。     

三维针刺C/SiC刹车材料的热物理性能

通过化学气相渗透(CVI)法结合反应熔体浸渗(RMI)法制备了三维针刺C/SiC刹车材料, 系统研究了三维针刺C/SiC刹车材料的热物理性能。结果表明: C/SiC刹车材料的热膨胀系数随温度升高总体呈增大趋势, 但呈规律性波动; 在相同温度下, 垂直于摩擦面方向的热膨胀系数远大于平行方向的。从室温至1300 ℃, 平行和垂直于摩擦面方向的平均热膨胀系数分别为1.75×10-6K-1和4.41×10-6K-1; C/SiC刹车材料的比定压热容随温度的升高而增大, 但增大速率逐渐减小。温度从100 ℃升到1400 ℃, 其比定压热容从1.41 J/(g·K) 增大到1.92 J/(g·K); C/SiC刹车材料的热扩散率随温度的升高而降低, 并趋于常量。平行于摩擦面方向的热扩散率明显大于垂直于摩擦面方向的热扩散率。      

PVA/PEI共混膜对于碳酸二甲酯与二氧化碳体系的分离效果

针对碳酸二甲酯/二氧化碳(DMC/CO2)体系制备有较好分离效果的膜,选取聚乙烯亚胺(PEI)作为膜中运输二氧化碳的载体分子,有良好成膜性的聚乙烯醇作为膜的基础材料.在一般情况下,该膜对于纯二氧化碳的通量随着聚乙烯亚胺含量的增加而增大.对DMC/CO2体系的渗透通量随着聚乙烯亚胺含量的增加、压力差的提高和温度的升高而增大,分离因子随聚乙烯亚胺含量发生变化,随压力变化不大,随温度升高而降低.在30℃,压力差0.5MPa,温度20℃下,当聚乙烯亚胺含量达到40%,膜厚35μm时,分离因子为36,渗透通量为4.8g/(m2.h).     

A study on the tensile response and fracture in carbon nanotube-based composites using molecular mechanics

A study on the mechanical properties of polyethylene and carbon nanotube (CNT) based composites is presented using molecular mechanics simulations. The systems being investigated consist of amorphous as well as crystalline polyethylene (PE) composites with embedded single-walled CNTs. All the systems are subjected to quasi-static tensile loading, with the assumption that no cross-link chemical bonds exist between the CNT and polyethylene matrix in the case of nanocomposites. Based on the numerical simulations, we report Young’s moduli (C₃₃) of 212–215 GPa for crystalline PE, which closely match the experimental measurement. Furthermore, elastic stiffness of 3.19–3.69 GPa and tensile strength of 0.21–0.25 GPa are obtained for amorphous PE. The tensile responses are found to be highly isotropic. In the case of crystalline PE reinforced by long through CNTs, moderate improvements in the tensile strength and elastic stiffness are observed. However, the results differ from the predictions using the rule of mixtures. On the other hand, although significant increase in the overall tensile properties is observed when amorphous PE is reinforced by long through CNTs, the load transfer at the nanotube/polymer interface has negligible effect. Finally, degradations in both tensile strength and elastic stiffness are reported when amorphous PE is reinforced by embedded CNTs. The study presented indicates the importance of specific CNT and polymer configurations on the overall properties of the nanocomposite.     

Production and characterization of polymer nanocomposites with highly aligned single-walled carbon nanotubes

We report the production and characterization of polymer nanocomposites with single-walled carbon nanotubes having improved mechanical properties and exceptional nanotube alignment. High-pressure carbon monoxide nanotubes (HiPco) were efficiently distributed in polystyrene (PS) and polyethylene (PE) with a twin-screw compounder. Nanotube concentrations were 1, 5, 10, and 20 wt% in PE composites and 0.7 wt% in PS composites. PE composites were melt-spun into fibers to achieve highly aligned nanotubes. Polarized Raman spectroscopy shows that the degree of alignment increases with decreasing fiber diameter and decreases with increasing nanotube loading. The orientation distribution function of a 1 wt% HiPco/PE composite had a full width at half-maximum of approximately 5 degrees. The elastic modulus increases up to 450% relative to PE fibers for 20 wt% nanotube loading at an intermediate fiber diameter of 100 microns.     

莫来石与碳纤维协同填充的聚四氟乙烯基复合材料及其摩擦学性能

为了提高聚四氟乙烯（PTFE）的摩擦学性能,采用机械混匀、带温预压及烧结等工艺制备了莫来石和碳纤维填充的PTFE基复合材料,并通过FTIR、XRD、万能材料试验机、洛氏硬度计、DSC及热机械分析分别表征了PTFE基复合材料的显微结构、力学性能和热学性能;然后,使用MRH-3 型高速环块磨损试验机测定了复合材料的摩擦系数和磨损率,通过自制的硅油砂浆磨损装置测定了复合材料在不同温度下的耐砂浆磨损性能;最后,借助3D测量激光显微镜研究了复合材料摩擦面形貌,并分析了摩擦磨损机制。结果表明:莫来石和碳纤维在PTFE体系中起到填充增强作用,20wt%莫来石-10wt%碳纤维/PTFE复合材料的弹性模量由364 MPa增加至874 MPa;20wt%莫来石-10wt%碳纤维/PTFE复合材料的干摩擦系数较大,但其磨损率与纯PTFE相比降低了3个数量级以上,且此复合材料在水摩擦条件下仍能保持较好的摩擦系数和磨损率,摩擦系数为0.157,磨损率为7.40×10-6 mm3·N-1·m-1;此外,20wt%莫来石-10wt%碳纤维/PTFE复合材料在较高温度下仍能表现出良好的耐砂浆磨损性能。所得结论表明改性得到的PTFE 基复合材料的摩擦学性能显著提高,复合材料可用于有杆抽油井防偏磨。      

The impact of fluorinated MWCNT additives on the enhanced dynamic mechanical properties of e-beam-cured epoxy

Multi-walled carbon nanotubes were embedded into e-beam-cured epoxy resin to improve the mechanical properties of epoxy resin. The surfaces of these carbon nanotubes were modified using a fluorination treatment to improve their dispersion and adhesion in epoxy resin. The dynamic mechanical properties of epoxy/carbon nanotube composites were investigated at various heating rates and frequencies. As an effect of fluorination treatment, the semi-ionic bond of C–F on the surface of multi-walled carbon nanotubes played an important role in the improved dispersion and adhesion of carbon nanotubes into the epoxy resin. The storage modulus and loss modulus of the composites increased with higher applied frequency. The activation energy of the composites was increased by the effects of a higher heating rate due to the slow heat transfer in the epoxy/carbon nanotube composites. Eventually, the dynamic mechanical properties of the investigated epoxy were significantly improved by the carbon nanotubes dispersed therein via the fluorination treatment.     

Modeling carbon nanotube reinforced composite materials with the cylindrical method of cells

Micromechanics modeling, utilizing a cylindrical method of cells (CMOC) model, is employed to obtain the effective mechanical properties of an elastic transversely isotropic, isothermal material system consisting of a hollow carbon nanotube (CNT) embedded in an isotropic polymeric material matrix. It is shown that weak interfacial bonding between the CNT and polymeric matrix, which is characteristic of this type of material system, can be modeled with the CMOC. Numerical solutions of the effective independent material constants are obtained, based upon appropriate values of the properties of the carbon nanotube and epoxy matrix. The numerical results are presented graphically and compared with corresponding classical closed‐form solutions. Copyright © 2015 John Wiley & Sons, Ltd.     

Preparation and characterisation of PE films of carbon nanotube/polyaniline (PAN) composite mixture

ABSTRACT

Polyaniline (PAN) composites filled with nanotube were prepared by twin-screw extruder in order to study the influence of PE reinforcing effect on the mechanical behaviour of the nanotube/polyaniline (PAN) composites. The mechanical property tests of the composites with and without PE were performed. The tensile and flexural strength of nanotube/polyaniline (PAN) composites with polyethylene (PE) was improved. In conclusion, the addition of PE favoured the improvement of the higher interface strength and so had good effect on improving the tensile and flexural properties of the composites. The dielectric strength was slightly increased with the PE content increasing and then decreased gradually. The hybrid film with 2 wt.% of PE shows the dielectric strength of 199 MV/m, which is about 6% higher than that of nanotube/polyaniline (PAN) film (188 MV/m).     

Sensing of damage and healing in three-dimensional braided composites with vascular channels

With the rise of composite materials as replacements for traditional monolithic materials comes an increase in demand for multifunctionality. Prior studies have demonstrated the ability of an embedded, electrically percolating carbon nanotube network to respond electrically to the onset and progression of damage in composite structures. We build upon this work by incorporating healing functionality into braided composites through the use of a hollow channel resin delivery system. This study demonstrates the ability of a carbon nanotube network to sense crack filling during resin injection, thus providing the scientific basis required for sensing healing in advanced composites. With practical application in mind, a two-part healant system is employed in this study. Two methods for qualitatively assessing healing are employed and compared; these include elastic modulus/strain energy recovery and FTIR spectroscopy.     

快速固化碳纳米管/苎麻纤维/环氧树脂复合材料层板的制备与性能

针对植物纤维/树脂基复合材料高性能化问题,本研究以羟基化碳纳米管/无水乙醇分散液预先浸渍苎麻纤维织物,得到了碳纳米管分散均匀的碳纳米管/苎麻纤维多尺度复合织物,并进一步以快速固化环氧树脂为基体,采用真空辅助树脂灌注成型工艺(VARI)制备了碳纳米管改性的苎麻纤维/环氧树脂基复合材料层板(PRFC)。研究结果表明,相比未采用碳纳米管改性的苎麻纤维/环氧树脂复合材料(RFC),PRFC的弯曲强度提高14.7%,冲击强度提高20.9%。相比碳纳米管预先分散于环氧树脂基体中制备的碳纳米管改性苎麻纤维/环氧树脂复合材料(MRFC),PRFC的力学性能提高更显著。同时,PRFC的吸湿性能比MRFC和RFC的明显降低。     

Molecular dynamics simulation of SWCNT–polymer nanocomposite and its constituents

Elastic and engineering properties of nanoparticle enhanced composites and their constituents (matrix, reinforcement and interface) are calculated. The nanocomposites considered in this study consist of a single-wall carbon nanotube (SWCNT) embedded in polyethylene matrix. Molecular dynamics simulations are used to estimate the elastic properties of SWCNT, interfacial bonding, polyethylene matrix and composites with aligned and randomly distributed SWCNTs. The elastic properties of bundles with 7, 9, and 19 SWCNTs are also compared using a similar approach. In all simulations, the average density of SWCNT–polymer nanocomposite was maintained in the vicinity of CNTs, to match the experimentally observed density of a similar nanocomposite. Results are found to be in good agreement with experimentally obtained values by other researchers. The interface is an important constituent of CNT–polymer composites, which has been modeled in the present research with reasonable success.