Improvement Mechanism of Adhesion Performance of Anti-stripping Agents and Coupling Agents on Asphalt-Aggregate Interface Based on Molecular Dynamics

This study examined the mechanisms for improving the adhesion performance of the asphalt-aggregate interface with two anti-stripping agents and two coupling agents.The investigation of contact behavior between various asphalt-aggregate surfaces was conducted using molecular dynamics(MD)simulations.The interaction energy and the relative concentration distribution were employed as the parameters to analyze the enhancement mechanisms of anti-stripping agents and coupling agents on the asphalt-aggregate interface.Results indicated that the adhesion at the asphalt-aggregate interface could be strengthened by both anti-stripping agents and coupling agents.Anti-stripping agents primarily improve adhesion through the reinforcement of electrostatic attraction,while coupling agents primarily upgrade adhesion by strengthening the van der Waals.Hence,the molecular dynamics modeling and calculation techniques presented in this study can be utilized to elucidate the development mechanism of the asphalt-aggregate interface through the use of anti-stripping agents and coupling agents.

A novel high-efficient P/N/Si-containing APP-based flame retardant with a silane coupling agent in its molecular structure for epoxy resin

A flame retardant containing multiple antiflaming elements usually exhibits high-efficient flame retardancy. Here, a novel P/N/Si-containing ammonium polyphosphate derivative(APTES-APP) is synthesized from ammonium polyphosphate(APP) and silane coupling agent(3-aminopropyl)triethoxysilane(APTES)via cation exchange, which is quite different in the chemical structure from APTES-modified APP for retaining silicon hydroxyls. APTES-APP is highly efficient for the epoxy resin. 8%(mass) APTES-APP imparts excellent flame retardancy to the epoxy resin, with a V-0 rating at the UL-94 test(1.6 mm)and an LOI value of 26%(vol). The peak heat release rate and total smoke production of the flameretardant epoxy resin are decreased by 68.1% and 31.3%, respectively. The synergy of P/N/Si contributes to the well-expanded char residue with a strong and dense surface layer, which is a very good barrier against heat and mass transfer. Besides, there is no significant deterioration in the mechanical properties of flame-retardant epoxy resin thanks to silicon hydroxyls forming hydrogen bonds with epoxy molecules. Meanwhile, other molecules can be grafted onto APTES-APP via these silicon hydroxyls, if needed.Briefly, this work has developed a new strategy for amino silane as flame retardants. In conjunction with a low-cost and simple preparation method, APTES-APP has a promising prospect in the high-performance flame-retardant epoxy.

Nanolignin,a Coupling Bio-Agent for Wood-Plastic Composites

The influence of nanolignin coupling bio-agent on some characteristics of polypropylene-wood flour composites was studied.Thus,nanolignin was prepared by the acidic method,and then different ratios of it(0,1,3 and 5 wt%)were added to a polypropylene-wood flour mixture.After mechanically mixing wood flour,nanolignin,and polypropylene,the mixture was injection molded.ASTM methods were used to measure the structural properties of nanolignin,and prepared composites’water absorption,thickness swelling,bending modulus,and bending,tensile and impact strengths.Transforming the original lignin to nanolignin did not change the chemical bonds of the material.The addition of nanolignin yielded improved mechanical and physical properties of the composites prepared.Higher strength and dimensional stability are presented by nanolignin-containing composites when comparing them with those prepared with normal lignin.Nanolignin was shown by SEM(Scanning Electron Microscope)observation to be uniformly dispersed within the polymer matrix.Wood polymer composites(WPCs)with nanolignin exhibited comparable properties with the control samples prepared using maleic anhydride polypropylene(MAPP).

Effect of Silane Coupling Agent Concentration on Interfacial Properties of Basalt Fiber Reinforced Composites

The purpose of this study is to investigate the effect of the concentration of silane coupling solution on the tensile strength of basalt fiber and the interfacial properties of basalt fiber reinforced polymer composites.The surface treatment of basalt fibers was carried out using an aqueous alcohol solution method.Basalt fibers were subjected to surface treatment with 3-Methacryloxypropyl trimethoxy silane at 0.5 wt.%,1 wt.%,2 wt.%,4 wt.%and 10 wt.%.The basalt monofilament tensile tests were carried out to investigate the variation in strength with the concentration of the silane coupling agent.The microdroplet test was performed to examine the effect of the concentration of the silane coupling agent on interfacial strength of basalt reinforced polymer composites.The film was formed on the surface of the basalt fiber treated silane coupling agent solution.The tensile strength of basalt fiber increased because the damaged fiber surface was repaired by the firm of silane coupling agent.The firm was effective in not only the surface protection of basalt fiber but also the improvement on the interfacial strength of fiber-matrix interface.However,the surface treatment using the high concentration silane coupling agent solution has an adverse effect on the mechanical properties of the composite materials,because of causing the degradation of the interfacial strength of the composite materials.

Reinforcement of Styrene-Butadiene Rubber with Silica Modified by Silane Coupling Agents: Experimental and Theoretical Chemistry Study

The properties of styrene-butadiene rubber (SBR) reinforced by modified silica was investigated according to national standards. Silica was modified by silane coupling agents KH-570, KH-590, and KH-792. The optimized geome-tries of molecular modified silica reinforced SBR were obtained by using B3LYP calculation of density functional theory with the 6-31+G basis sets. The natural bond orbital analyses were carried out. The Si—O bond length of silica modified by KH-792 was the shortest and the electronegative of O was the highest. It indicated that the connection between silica and KH-792 was the tightest. Higher tensile strength and elongation of reinforced SBR was obtained by silica modified with the KH-792. It was caused by large delocalization of lone pair electrons of the two N atoms in KH-792. The S—C bond length in silica modified by KH-590 was longer than the ordinary S—C bond length. Then the sulfur free radical (·S·) was produced more easily in vulcanization. The degree of crosslink was increased by the cross-linkage of the rubber molecule and the sulfur free radical. That was why the highest stress and tear strength of reinforced SBR was produced when silane coupling agent KH-590 was used. The calculation results was in accord with experimental data.

Surface Modification of Fire-retardant Asphalt with Silane Coupling Agent

The theory and approach of the surface modified of asphalt fire-retardant with silane coupling agent were introduced. The optimum silane dosage was determined, and the structure and properties of the asphalt fire-retardant before and after the surface modification were characterized by infrared spectrum and thermo gravimetric analysis. The dispersion effect of asphalt flre-retardant was studied. The influence of the surface modification on the hydrophilicity and lipophilicity of the asphalt fire-retardant was analyzed. The experimental results showed that there were physical and chemical interactions between the silane coupling agent and the asphalt fire-retardant, which reduced the surface polarity of the asphalt fire retardant. The optimum silane coupling agent dosage was 0.95% of the asphalt fire retardant. The surface modification improved the thermal stability, dispersibility and lipophilicity of the asphalt fire retardant, which enhanced the compatibility between asphalt fire retardant and asphalt.

EFFECTS OF COUPLING AGENTS ON THE CRYSTALLIZATION BEHAVIOR OF PP/T-ZnOw COMPOSITES

The objectives of this paper are to understand the crystallization behavior of polypropylene （PP） composites with surface modified tetra-needle-shaped zinc oxide whisker （T-ZnOw）. T-ZnOw was surface modified with different coupling agents, such as silane coupling agents （KH-550, KH-560） and titanate coupling agent （NDZ-105）, in order to improve the compatibility between PP and T-ZnOw. DSC and POM were used to characterize the melt and crystallization behavior and the crystalline structures of the composites, respectively. The results show that the surface modified T-ZnOw acts as a nucleating agent of PP crystallization, depending on the coupling agent used for modification. KH-550 and KH-560 have more apparent role in improving the interfacial interaction than NDZ-105 and induce PP crystallization at higher temperature and with smaller spherulites size. The results also suggest that the crystallization behavior depends on not only the content of coupling agent, but also the content of the surface modified T-ZnOw used in the composites.

Preliminary study of the effects of EVA coupling agents on properties of wood-plastic composites

As a hot-melt adhesive, ethylene-vinyl-acetate （EVA） has been used in many industrial applications. But studies of the application of EVA in wood-plastic composites （WPC） are relatively few, so we have investigated the proposition of whether EVA is a suitable coupling agent for WPC or not. The results show that EVA with 8% VA is not a suitable coupling agent, because it reduces the mechanical properties of WPC without any significant effect on its physical properties. With an increase in the amount of wood powder, the mechanical properties of WPC decrease and the ability of water absorption of WPC increases.

Improving the Combined State of Rubber-Clay CompositeInterface by Applying Coupling Agent

The surface modification of clay fines was carried out by using silanecoupling agent. By means of IR spectra etc, a study was made on the combined state ofcoupling agent and clay. A rubber--clay composite material with excellent performancehas been prepared.

Surface organic modification of Fe_3O_4 nanoparticles by silane-coupling agents

Fe3O4 nanoparticles were prepared by chemistry co-precipitation and the mean crystal size was 17.9 nm measured by XRD. After it had been treated by silane-coupling agents KH570, magnetic micro-spheres dispersed in organic medium glycol were gained and the mean size of Fe3O4 nanopowders was 33.7 nm. So it can be concluded that magnetic micro-sphere is made of a few Fe3O4 crystals. Many factors of modification were researched, such as the time of ball milling, the content of Fe3O4 and the content of KH570. The modification of Fe3O4 is relative to the time of ball milling, but the dominant function is affected by the content of Fe3O4 and KH570. When the content of Fe3O4 is known, there is a suitable content of KH570. Different content of Fe3O4 will make the different suitable content of KH570, but the range of latter is less than former, which is relative to the distribution of KH570 on Fe3O4 surface or in the solution.

Chemical Reaction Between Polyvinyl Alcohol and Titanate Coupling Agent with X-Ray Photoelectron Spectroscopy

The chemical reaction between polyvinyl alcohol (PVA) and tri(dioctylpyrophosphoryloxy) isopropyl titanate (NDZ-201) was studied using X-ray photoelectron spectroscopy (XPS).The results show that some C-OH functional groups of PVA react with the titanate coupling agent to form C PVA-O-Ti-O-C PVA bond.The cross-linking of the PVA chains occurs through the formation of C PVA-O-Ti-O-C PVA bonds and produces a three dimensional hydrophobic polymer network.Accordingly,the mechanism is proposed that the titanate coupling agent improves the moisture sensitivity of high alumina cement/polyvinyl alcohol (HAC/PVA) based macro defect free (MDF) composite material.

The influence of silane coupling agent and poplar particles on the wettability, surface roughness, and hardness of UF-bonded wheat straw(Triticum aestivum L.)/poplar wood particleboard

We used silane coupling agents to improve the bonding ability between wheat straw particles and UF resin, and investigated surface properties （wettability and surface roughness） and hardness of parti-cleboard made from UF-bonded wheat straw （Triticum aestivum L.） combined with poplar wood as affected by silane coupling agent content and straw/poplar wood particle ratios. We manufactured one-layered particleboard panels at four different ratios of straw to poplar wood par-ticles （0%, 15%, 30% and 45% wheat straw） and silane coupling agent content at three levels of 0, 5% and 10%. Roughness measurements, average roughness （Ra）, mean peak-to-valley height （Rz）, and root mean square roughness （Rq） were measured on unsanded samples by using a fine stylus tracing technique. We obtained contact angle measurements by using a goniometer connected to a digital camera and computer sys-tem. Boards containing greater amounts of poplar particles had superior hardness compared to control samples and had lower wettability. Panels made with higher amounts of silane had lower Rq values.

Improvement of Water Sensitivity of Macro-defect-free Cement Based Composites with Cross Coupling Agent

The enhancement of interface bonding between cement and polymerand the structural reticula- tion of the water-soluble polymer areproposed to minimize the shortening of the mechanical properties ofmacro-de- fect-free(MDF)cement based composites at high relativehumidity. The MDF composites incorporated with vari- ouscross-coupling agents studied experimentally. The results show thatthe MDF composites modified with small amounts of cross-couplingagent had raised mechanical properties, but it is more important thatthe modified MDF composites had a significant increase in waterresistance compared to the original one.

Reparation and Performance Testing of Free Radical Photocurable Passivation Film Modified by Titanate Coupling Agent for Hot-plated Aluminum-zinc Steel Plate

To study the effect of free radical photocurable passivation film modified by titanate coupling agent for hot-plated aluminum-zinc plate,trimethylpropane triacrylate(TMPTA)and 2-phenoxyethyl acrylate were used as active diluents,a mixture of modified epoxy acrylate and modified polyester acrylate in a certain proportion was used as an oligomer,2-methyl-1-[4-(methylothyl)benzene]-2-morpholine acetone(907)was used as a free radical photoinitiator,isopropyl thioxanthone(ITX)was used as sensitizer,and bis(dioctyl phosphate acyl)titanate ethyltitanate acrylamide chelate(FD-812)was used as corrosion inhibitor modifier.After UV-curing,the passivation film was characterized by neutral salt spray test,electrochemical testing and other methods.The general performance of the passivation film may meet the requirements of downstream users of hot aluminum-zinc steel plate.The neutral salt spray test,electrochemical testing and microscopic surface morphology analysis of passivation film are in agreement.The introduction of titanate components may effectively promote the photocuring of free radicals.There have been few reports on the titanate coupling which is added to UV-curing coating formula.The titanate coupling agent contains acrylamide groups and terminal amine groups,acrylamide group has oligomer and crosslinking monomer,the terminal tertiary amine groups can provide hydrogen protons,reduce oxygen polymerization,and a phosphating film is formed on the surface of the metal substrate to improve the adhesion and corrosion resistance of the coating.

Understanding the Effect of Zinc Oxide(ZnO)With Carbon Black Coupling Agent on Physico-Mechanical Properties in Natural Rubber Matrix

Natural rubber(NR)is not only the main compounding ingredient used to make the majority of components of tires as well as other rubber products,as it plays a significant role in ensuring that they operate well and complies with environmental standards.The applications of NR products are lim-ited to high temperatures due to the revision tendency of NR vulcanizate.To address these issues,the potential engagement of a carbon black(CB)coupling agent(CA)in the presence of metal oxide i.e.Zinc Oxide(ZnO)was investigated in an NR-based system.This CA has dual functionality on physicomechanical properties.CA has the ability to reduce hysteresis loss as well as improve anti-reversion properties and these properties thorough-ly depend on the presence of ZnO.While ZnO was added to the master formulation,a 65%improvement in reversion properties was observed.On the other hand,while ZnO fully transferred to the final formulation,bound rubber(BR)content increased by 19%,the difference in storage modulus(ΔG’)is reduced by 22%,cure rate index(CRI)improved by 14%,loss tangent(tanδ)reduced by 18%and slightly improve in elongation at break compared to control compound.Thermo-gravimetric analysis(TGA)was engaged to understand the thermal stability and degree of purity of CA.A differential Scanning Calorimeter(DSC)was used to detect the phase tran-sition of CA.Fourier Transform Infrared Spectrum(FTIR)was adopted to detect the presence of carboxyl and amine groups in the CA moiety.Payne effect,BR content and Transmission Electron Microscope(TEM)were em-ployed to investigate the micro-level dispersion of CB in the natural rubber(NR)matrix.

基于多Agent模型的宁东基地水-能源-粮食系统协同演化研究

随着淡水资源逐渐减少、能源需求量逐渐增长和粮食供应结构不断变化,加之三者之间既相互依存又相互竞争的特点,水-能源-粮食的交互关系变得异常复杂。为确保水安全、能源安全和粮食安全,实现三者的协同优化管理、资源的高效利用和可持续发展,以集资源型缺水和季节性缺水为一体的干旱敏感区域宁东基地为例,提出了基于多Agent模型的宁东基地水-能源-粮食系统模拟模型,将宁东基地水-能源-粮食系统看成是由若干个相对独立的自主Agent构成的一个合作共生网络体系,构建了宁东基地水-能源-粮食模拟框架,定义了各Agent的属性,设计了Agent之间以及Agent和环境要素之间的交互规则,基于Python语言的多Agent建模工具MESA库开发了宁东基地水-能源-粮食仿真模型,以模拟宁东能源化工基地的系统演化过程。结果表明:随着人口的增长,生活部门配水量、能源消耗和粮食消耗量均呈现上升趋势;粮食部门配水量呈现出与农作物产量变化相对应的变化趋势;宁东基地的能源部门配水量呈现上升趋势,预测年的配水量每年增长约为0.08亿m^(3);随着生态绿化覆盖面积的逐年增长,生态部门的配水量也呈现出逐年增长的趋势;每年可以向基地外输送的能源,实测年增长率约为19.85%,预测年增长率约为3.53%,预计到2025年可增加到4.96×107t标准煤。

Graft modification of ZnO nanoparticles with silane coupling agent KH570 in mixed solvent

The reaction of ZnO nanoparticles grafted with KH570 silane coupling agent was carried out in water-alcohol mixed solvent. Several characterization methods were applied to analyzing the results of surface modification such as Soxhlet extraction, Fourier transform infrared spectroscopy （FT-IR）, transmission electron microscopy （TEM）, thermogravimetry （TG）, differential scanning calorimetry （DSC） and zeta potential （ζ）. The results of FT-IR and TG-DSC show that the desired reaction chains have been covalently bonded on the surface of ZnO nanoparticles. Zetasizer results reveal that the maximal absolute value of ζ of the modified ZnO particles in acetone medium was 67.0 mV, which was much higher than that of the unmodified ZnO particles. So the surface of nanosized ZnO changed from hydrophilicity to hydrophobicity and the dispersity of ZnO nanoparticles were improved simultaneously. Finally, the mechanism of graft modification was discussed.

Influence of silane coupling agent on the conversion film forming of galvanized steel treated with cerium salt

The influence of silane coupling agent on the film forming of galvanized steel treated with cerium salt was studied by scanning electron microscopy （SEM） and X-ray photoelectron spectroscopy （XPS）, and the corrosion resistance of conversion films was analyzed by electro interstitial scanning （EIS）. The results show that silane coupling agent KH-570 has significant influence on the compactness and homogeneity of cerium conversion films, and the process of film forming is promoted by increasing the content of tervalent and tetravalent cerium oxide. The impedance value of the cerium conversion film, especially modified with KH-570, is greater than that of the base metal, which reveals that it is necessary to add silane coupling agent to the film-forming solution in order to improve the corrosion resistance of the conversion film.

ON PHENYLSILANE TYPE COUPLING AGENTS AND THEIR APPLICATION IN COMPOSITE

In this paper, unsaturated polyester type GFRP composite was treated with phenylsilane type coupling agents by migration technology, then the mechanical properties were measured. The results show that the mechanical properties of GFRP composite are greatly improved but the other properties are little affected after being treated by phenylsilane type coupling agents (named as WGD type coupling agents).