Sharif Digital Repository

A novel silica-functionalized ammonium tungstate interphase catalyst has been reported as a non-nitric acid route for adipic acid production from one-pot oxidative cleavage of 30% hydrogen peroxide and catalytic amounts of p-toluenesulfonic acid (PTSA). The catalyst has been simply prepared by commercially available starting material. The structure of the catalyst has been investigated using FT-IR spectroscopy, atomic absorption, TEM, SEM and XRD analysis. The catalyst has shown good to high activity even up to 10 runs of reaction. Simple preparation of the catalyst, avoids using harmful phase transfer catalyst (PTC) and/or chlorinated additives are among the other benefits of this work  

In this paper, the equivalent inclusion method is implemented to estimate the effective mechanical properties of unidirectional composites in the presence of an imperfect interface. For this purpose, a representative volume element containing three constituents, a matrix, and interface layer, and a fiber component, is considered. A periodic eigenstrain defined in terms of Fourier series is then employed to homogenize non-dilute multi-phase composites. In order to take into account the interphase imperfection effects on mechanical properties of composites, a stiffness parameter in terms of a matrix and interphase elastic modulus is introduced. Consistency conditions are also modified... 

This paper presents the effect of martensite volume fraction (VM) on mechanical properties of AISI 4340 steel with ferrite-bainite-martensite microstructures. The steel bars were austenitized at 900°C for 1h followed by intercritical annealing at 740°C for 100min and quenching into a salt bath with temperature of 300°C and holding at different times to obtain triple phase (TP) microstructures with 34vol.% fraction ferrite and various martensite (or bainite) contents. Presence of three phases in adjacent to each other was confirmed by metallographic analysis and TEM studies. TEM observation also indicates higher density of dislocations within ferrite near martensite colonies compared to that... 

Composites of phenol-formaldehyde (PF) resin with Closite Na+ and Closite 30B up to 20 wt% loadings were prepared by solution mixing. Tensile testing showed that both pristine and organically modified clays increased considerably the mechanical properties of PF resin at 2.5 wt% loading followed by marginal improvement or even sacrificed properties at high loadings. DMA and DSC analyses suggested development of a highly crosslinked and well adhered interphase around silicate layers. A novel three-phase model considering the interphase region was proposed to predict composite modulus. The model was successfully employed to correlate morphological characteristics and mechanical properties of... 

Exceptional mechanical properties of carbon nanotubes (CNTs) such as high elastic modulus, stiffness and tensile strength have made them as promising reinforcement in polymer nanocomposite systems. The characteristics of CNTs/polymer interphase region directly affect the efficiency of nanotubes for improving the nanocomposite mechanical properties. In this work, the influence of chains alignment within the interphase region on elastic response of the nanocomposite is assessed using a novel ordered-inordered approach. The applicability of the presented approach is examined by implementing the approach on a series of reported data available in the literature. The effects of CNT content,... 

A new, robust homogenization scheme for determination of the effective properties of a periodic piezoelectric composite with general multi-coated inhomogeneities is developed. In this scheme the coating does not have to be thin, the shape and orientation of the inclusion and coatings do not have to be identical, their centers do not have to coincide, their properties do not have to remain uniform, and the microstructure can be with the 2D elliptic or the 3D ellipsoidal inclusions. The development starts from the local electromechanical equivalent inclusion principle through the introduction of the position-dependent equivalent eigenstrain and electric field. Then with a Fourier series... 

In this article, a multiscale modeling procedure is implemented to study the effect of interphase on the Young's modulus of CNT/polymer composites. For this purpose, a three-phase RVE is introduced which consists of three components, i.e., a carbon nanotube, an interphase layer, and an outer polymer matrix. The nanotube is modeled at the atomistic scale using molecular structural mechanics. Moreover, three-dimensional elements are employed to model the interphase layer and polymer matrix. The nanotube and polymer matrix are assumed to be bonded by van der Waals interactions based on the Lennard-Jones potential at the interface. Using this Molecular Structural Mechanics/Finite Element... 

In this study, a new type of magnetite nanocomposite with a core-shell structure was synthesized using Fe3O4 nanoparticles as a core and polyaniline (PANI) as a shell. For this propose, the surface of Fe3O4 was chemically modified with hexamethylenediisocyanate (HMDI) to improve its compatibility and interphase interaction with the polymeric matrix. Thereafter, the PANI was reacted with modified Fe3O4 to anchor them to PANI by covalent bands which acted as a shell. In the second step, the poly (maleic acid-co-acrylic acid) (P(MAc-co-AA)) as polymeric dopant for the PANI was synthesized. Finally, the PANI anchored to Fe3O4 was immersed in an aqueous solution of poly (maleic... 

Structural, microstructural and mechanical properties in roll bonding of AA5052 and polypropylene sheets have been evaluated in this study. The surface roughness of the AA5052 sheets, rolling temperature and the surface energy of polymer were selected as the bonding variables. The findings indicated that an increase in the surface energy of polypropylene by grafting maleic anhydride would result in higher bonding strength due to chemical interaction between the AA5052 and the maleic anhydride grafted polypropylene (PP-g-MAH). In fact, this reaction caused the formation of an interphase layer at the polymer side of the interface and the diffusion of aluminum into the PP-g-MAH layer. It was... 

Polymer-clay nanocomposites (PCNs) have received intensive attention in recent years because of their wide domain of applications. The present report provides an approach to calculate the thickness of nanometric interphase region in exfoliated PCNs based on the information about their macroscopic modulus and their nanoclay content. First, the concept of interphase region in PCNs is explained with an “algae explanation”. Then, a series of parametric finite element simulations together with analytical equations are employed to derive an explicit relationship between the interphase thickness and the PCN macroscopic modulus. The obtained analytical model considers the structural impact of the... 

Polymer composite films based on chitosan (CS) and nanodimaond (ND) were prepared using solution casting method. ND with variable contents of carboxylic functional group was prepared using thermal oxidation at temperature of 420 °C under air atmosphere at various durations of 1.5 and 4.5 h. The interfacial interaction between NDs and CS and morphological evolution of CS in presence of NDs were investigated by Fourier transform infrared (FTIR), differential scanning calorimeter (DSC) and X-ray diffraction (XRD) analyses. A significant improvement in tensile strength (∼85%) and tensile modulus (∼125%) of CS was achieved by oxidized ND (OND) obtained at higher oxidation time of 4.5 at low... 

Structural, microstructural and mechanical properties in roll bonding of AA5052 and polypropylene sheets have been evaluated in this study. The surface roughness of the AA5052 sheets, rolling temperature and the surface energy of polymer were selected as the bonding variables. The findings indicated that an increase in the surface energy of polypropylene by grafting maleic anhydride would result in higher bonding strength due to chemical interaction between the AA5052 and the maleic anhydride grafted polypropylene (PP-g-MAH). In fact, this reaction caused the formation of an interphase layer at the polymer side of the interface and the diffusion of aluminum into the PP-g-MAH layer. It was... 

This paper presents a mathematical formulation of lithium-ion batteries, including aging and temperature effects. The model is developed by integrating the simplified single particle model (SSPM) and reduced-order model (ROM) to predict solid electrolyte interphase growth (SEI). Results show agreement with the experimental data at 25 °C operating temperature and moderate cycling currents. A maximum error of 3.6% in finding the battery discharged Ah is observed in harsh operating conditions, including 60 °C and approaching the end of life of the battery. Due to the typical operating conditions of stand-alone renewable energy systems, more accurate estimations are expected. Finally, this... 

Carbon nanotubes are regarded as ideal fillers for polymeric materials due to their excellent mechanical properties. Mechanical analysis without consideration of nanotube–matrix interphase, may not give precise predictions. In this work, the impacts of interphase on the behavior of polymer-based nanocomposites are studied. For this purpose, a closed-form micromechanical interphase model considering the diameter of nanotube, the thickness of interphase, and mechanical properties of nanotube and polymer is proposed to estimate the overall mechanical properties of nanotube-reinforced polymer nanocomposites. Furthermore, the effective elastic constants of the nanocomposites for a wide range of... 

In this study, a new type of magnetite nanocomposite with a core–shell structure was synthesized using Fe3O4 nanoparticles as a core and polyaniline (PANI) as a shell. For this propose, the surface of Fe3O4 was chemically modified with hexamethylenediisocyanate (HMDI) to improve its compatibility and interphase interaction with the polymeric matrix. Thereafter, the PANI was reacted with modified Fe3O4 to anchor them to PANI by covalent bands which acted as a shell. In the second step, the poly (maleic acid-co-acrylic acid) (P(MAc-co-AA)) as polymeric dopant for the PANI was synthesized. Finally, the PANI anchored to Fe3O4 was immersed in an aqueous solution of poly (maleic... 

Carbon nanotube (CNT)-reinforced polymer composites have attracted great attention due to their exceptionally high strength. Their high strength can be affected by the presence of defects in the nanotubes used as reinforcements in practical nanocomposites. In this article, a new three-phase molecular structural mechanics/finite element (MSM/FE) multiscale model is used to study the effect of CNT vacancy defects on the stability of single-wall (SW) CNT-polymer composites. The nanotube is modeled at the atomistic scale using MSM, whereas the interphase layer and polymer matrix are analyzed by the FE method. The nanotube and polymer matrix are assumed to be bonded by van der Waals interactions... 

A finite element-based hierarchical multiscale modeling scheme is presented and used for the analysis of nanotube-reinforced polymer composites. The scheme presented here consists of micro- and macroscale boundary value problems linked together using a computational homogenization scheme. Using the presented hierarchical multiscale scheme, we have studied nanotube-reinforced polymer composites, and the elastic properties are determined. Using different representative volume elements (RVEs) representing different volume fractions of aligned nanotubes, the effect of the nanotube volume fraction and the existence of an interphase layer on the effective elastic modulus of the nanocomposite are... 

Nanodiamond (ND)is an allotrope of carbon nanomaterials which exhibits many outstanding physical, mechanical, thermal, optical and biocompatibility characteristics. Meanwhile, ND particles possess unique spherical shape containing diamond-like structure at the core with graphitic carbon outer shell which intuitively contains many oxygen-containing functional groups at the outer surface. Such superior properties and unique structural morphology of NDs are essentially attractive to develop polymer composites with multifunctional properties. However, despite a long history from the discovery of NDs, which is dated back to the1960s, this nanoparticle has been less explored in the field of... 

In the current work, the effect of interphase region on the mechanical properties of polymer nanocomposites reinforced with nanoparticles is studied. For this purpose, a closed-form interphase model as a function of radial distance based on finite-size representative volume element is suggested to estimate the mechanical properties of particle-reinforced nanocomposites. The effective Young’s and shear moduli of thermoplastic polycarbonate-based nanocomposites for a wide range of sizes and volume fractions of silicon carbide nanoparticles are investigated using the proposed interphase model and molecular dynamics simulations. In order to investigate the effect of particle size, several unit... 

Carbon nanotubes are regarded as ideal fillers for polymeric materials due to their excellent mechanical properties. Mechanical analysis without consideration of nanotube–matrix interphase, may not give precise predictions. In this work, the impacts of interphase on the behavior of polymer-based nanocomposites are studied. For this purpose, a closed-form micromechanical interphase model considering the diameter of nanotube, the thickness of interphase, and mechanical properties of nanotube and polymer is proposed to estimate the overall mechanical properties of nanotube-reinforced polymer nanocomposites. Furthermore, the effective elastic constants of the nanocomposites for a wide range of...