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The purpose of this paper is to obtain liquid acrylate oligomers containing carboxyl groups as excellent toughening agents for epoxy resins.

Liquid acrylate oligomers containing carboxyl groups were synthesised by the solution polymerisation of butyl acrylate (BA), acrylic acid (AA) and acrylonitrile (AN) as monomers. The liquid acrylate oligomers were used as the toughening agents for epoxy resins. The chemical structure of the oligomers was characterised by ¹³C nuclear magnetic resonance (NMR) spectroscope. The morphology of modified epoxy networks was analysed by scanning electron microscope (SEM). The mechanical and thermodynamic properties were measured by universal testing machine and dynamic mechanical analyser (DMA).

The results show that AA and oligomer concentrations have great influence on the morphology, mechanical and thermodynamic properties of the modified epoxy networks. When the 10 wt percent oligomer containing BA and AN and AA in the ratio of 75/20/5 is used to modify the epoxy resin, the increase in impact strength of the modified epoxy network is 291.5 percent over the unmodified epoxy network due to addition of the oligomers without a sacrifice in heat‐resistance properties. Fracture surface analysis by SEM indicates the presence of a two‐phase microstructure.

The modified epoxy networks can be used as high performance materials such as adhesives, sealants and matrices of composites.

The liquid acrylate oligomers containing carboxyl and nitrile groups which were synthesised with BA, AA and AN as monomers by the solution polymerisation are novel and can greatly increase the toughness of epoxy resins without loss of thermal resistance.

In order to obtain functionalized core-shell nanoparticles (CSNPs) as excellent toughening agents for epoxy resins. The paper aims to discuss these issues.

Functionalized CSNPs containing epoxy groups on the surface were synthesized by emulsion polymerization with butyl acrylate as the core and methyl methacrylate copolymerizing with glycidyl methacrylate (GMA) as the shell. CSNPs were used as toughening agents for epoxy resins and their chemical structure was characterized by FT-IR. The morphology of modified epoxy networks (MEPN) was analyzed by SEM and TEM. Both the mechanical properties and thermodynamic properties were studied.

The results show that nearly spherical CSNPs with the particle size of 50-100 nm are obtained. A certain amount of CSNPs are uniformly dispersed in epoxy resins by the grinding method and the MEPN shows the ductile fracture feature. The miscibility between CSNPs and epoxy matrix increases with the increase of GMA concentration which makes more bonds form between them. Epoxy resins toughened with 10 wt% CSNPs containing 10 wt% GMA show the best mechanical properties and the increase in tensile strength and impact strength of the MEPN is 13.5 and 59.7 percent, respectively, over the unmodified epoxy networks. And the improvement in impact strength is not accompanied with loss of thermal resistance.

The MEPN can be used as high-performance materials such as adhesives, sealants and matrixes of composites.

The functionalized CSNPs are novel and it can greatly increase the toughness of epoxy resins without loss of thermal resistance.

The purpose of this paper is to show that there are some underlying principles of granular media that can be derived from statistical mechanics and that could be useful when considered in the context of computer simulations.

The fundamentals of statistical mechanics are presented and they are revised in order to set up a suitable approach for jammed static granular media. After a conceptual discussion about the entropy of granular matter, some specific statistical mechanics approaches that have been used for granular media are reviewed. Finally, a numerical simulation, conducted using an open source molecular dynamics code, is included as an illustrative example.

It is shown qualitatively how statistical mechanics can be used to analytically compute the expected statistical distribution of some quantities in numerical simulations.

The computation of entropy from histograms and the establishment of the constraints of the ensembles in simulations are still open issues.

Considering the entropy could set up new computational techniques. Initial arrangements could be analyzed in terms of their probability of occurrence and of their “distance” to the most probable state.

The paper includes the distribution of the mean force‐moment tensor component of a fast cyclic quasi isotropic compression process of a simple granular media. Results show how the system tends to an equilibrium state.

The purpose of this paper is to investigate the ability of transition metals (TMs) of iron-, nickel- and zinc-doped graphene nanosheet for adsorption of toxic gas of nitric oxide (NO). The results of this paper have provided a favorable understanding of the interaction between TM-doped graphene nanosheet and NO molecule.

A high performance of TM-doped graphene nanosheet as a gas sensor is demonstrated by modeling the material’s transport characteristics by means of the Langmuir adsorption and three-layered ONIOM/ density functional theory method. The Langmuir adsorption model has been done with a three-layered ONIOM using CAM-B3LYP functional and LANL2DZ and 6–311G (d, p) basis sets by Gaussian 16 revision C.01 program towards the formation of of NO→TM(Mn, Co, Cu)-doped on the Gr nanosheet.

The changes of charge density for Langmuir adsorption of NO on Mn-, Co- and Cu-doped graphene nanosheet orderly have been achieved as: ΔQ_Co-doped = +0.309 >> ΔQ_Mn-doped = −0.074 > ΔQ_Cu-doped = −0.051. Therefore, the number of changes of charge density have concluded a more remarkable charge transfer for Mn-doped graphene nanosheet. However, based on nuclear magnetic resonance spectroscopy, the sharp peaks around Cu doped on the surface of graphene nanosheet and C19 close to junction of N2 and Co17 have been observed. In addition, Cu-doped graphene sheet has a large effect on bond orbitals of C8–Cu 17, C15–Cu 17 and C16–Cu17 in the adsorption of NO on the Cu-doped/Gr which has shown the maximum occupancy. The amounts of ΔGads,NO→Mn−Co through IR computations based on polarizability have exhibited that ΔGads,NO→Mn−Co has indicated the most energy gap because of charge density transfer from the nitrogen atom in NO to Mn-doped graphene nanosheet, though ΔG(NO→Cu−C)0> ΔG(NO→Co−C)0>ΔG(NO→Mn−C)0.

This research aims to explore the adsorption of hazardous pollutant gas of “NO” by using carbon nanostructure doped by “TM” of iron, nickel and zinc to evaluate the effectiveness of adsorption parameters of various TM-doped graphene nanosheets.

AIRCRAFT performance is dependent upon a number of independent variables such as air density. Any variation in one of these variables, if not allowed for in performance correction, causes discrepancies in corrected performance figures.

The purpose of this paper is to present a non‐equilibrium viscous shock layer (VSL) solution procedure that considerably improves computational efficiency, especially for long slender bodies.

The VSL equations are solved in a shock oriented coordinate system. The method of solution is spatial marching, implicit, finite‐difference technique, which includes coupling of the normal momentum and continuity equations. In the nose region, the shock shape is specified from an algebraic expression and corrected through global passes through that region. The shock shape is computed as part of the solution beyond the nose region and requires only a single global pass. For this study, a seven‐species (O₂, N₂, O, N, NO, NO⁺, e⁻) air model is used.

The present approach eliminates the need for initial shock shape, which was required by previous method of solution. This method generates its own shock shape as a part of solution and the input shock shape obtained from a different solution is not required. Therefore, in comparison with the other VSL methods, the present approach dramatically reduces the CPU time of calculations. Moreover, by using the shock oriented coordinate systems the junction point problem in sphere‐cone configurations is solved.

This method is an excellent tool for parametric study and preliminary design of hypersonic vehicles.

The present method provides a computational capability which reduces the CPU time, and expands the range of application for the prediction of hypersonic heating rates.

To compute the Navier‐Stokes equations of a non‐equilibrium weakly ionized air flow. This can help to have a better description of the flow‐field and the wall heat transfer in hypersonic conditions.

The numerical approach is based on a multi block finite volume method and using a Riemann's solver based on a MUSCL‐TVD algorithm. In the flux splitting procedure the modified speed of sound, due to the electronic mode, is implemented.

A good description of the shock standoff distance, of the wall heat fluxes and of the peak of electron density number in the shock layer.

The radiative effects are not included in this paper. For the very high Mach numbers, this can modify the shock layer parameters.

The knowledge of the wall heat transfer in the re‐entry body problems.

The building of a robust numerical code in order to well describe hypersonic air flow in high Mach numbers.

This work experimentally and numerically investigates the aerodynamic heating of the charring‐ablating materials.

The experimental model is a stainless steel cone with an attached charring ablator, in which supersonic hot flow impinges. The initial numerical simulation is based on physical and mathematical models, including one‐dimensional, unsteady energy transport and mass conservation equations, coupled with calculations of aerodynamic heating, thermal degradation, heat transfer of the ablating surface and the ablation model. The problem is solved by an efficient numerical method.

The numerical calculations involve the time history of the temperature distribution inside the charring material and the backup structure. The results are consistent with the experimental data.

This study proposes an effective method to correlate one's own ablation rate equation, by a method of trial and error to find the correlation constants, and the corresponding time histories of the ablation rate or temperature that are closest to one's own experimental data. Then the correlation of the surface ablation rate can be applied with confidence in the numerical calculation of other cases.

The Chemical Information System (CIS) is a system of approximately 30 databanks available as a dial‐up online source of interactively available information for chemical compounds and their properties. The system was formerly known as the NIH/EPA Chemical Information System on account of its inception and development by two US Government agencies — The National Institutes of Health and Environmental Protection Agency. It is in particular the involvement by the EPA that explains the emphasis of the system on environmental information and the importance of the CIS as a source of data in this area. The databanks are by and large numeric and text databanks containing actual values and observations (quantitative and qualitative results), in contrast to bibliographic databases which, in general, contain only references to the sources of information. The data is compiled by many different producers and ranges widely in terms of applications. The information available can be broadly categorised as:

The purpose of this paper is investigate the inhibition efficiency of three similar bi-cyclic organic compounds, namely, benzimidazole (BI), benzotriazole (BTAH) and benzothiazole (BTH) on carbon steel in 1 M hydrochloric acid (HCl) solution. Organic inhibitors are widely used to protect metals in acidic media. Among abundant suggestions for acid corrosion inhibitors, azole compounds have gained attention.

The inhibition efficiency of the three organic compounds was investigated using potentiodynamic polarization and electrochemical impedance spectroscopy (EIS).

Superiorities of BTH and BTAH corrosion inhibitors were shown by EIS data and polarization curves. Moreover, the results revealed that BTAH and BTH can function as effective mixed-type adsorptive inhibitors, whereas no inhibition behavior was observed for BI. Both BTAH and BTH obeyed Longmuir adsorption isotherm. The results obtained from this isotherm showed that both inhibitors adsorbed on the specimen surface physically and chemically. The difference in inhibition efficiencies of BTAH, BTH and BI was related to the presence of nitrogen and sulfur hetero atoms on their molecular structures.

This study evaluated inhibition efficiency of BI, BTAH and BTH using electrochemical methods. In addition, the study attempted to find inhibition mechanism of the inhibitors and to find modes of adsorption of the inhibitors, correlating effects of heteroatoms and inhibition efficiency.