Sharif Digital Repository

The objective of the present study is to predict Young's modulus of polymer-layered silicate nanocomposites (PLSNs) containing fully intercalated structures. The particular contribution of this article is to consider the changes in structural parameters of different intercalated morphologies in vicinity of each other. These parameters include aspect ratio of intercalated stacks, number of silicate layers per stack, d-spacing between the layers, modulus of the gallery phase, and volume fraction of each intercalated morphology. To do this, the effective particle concept has been employed and combined with the Mori-Tanaka micromechanical model. It has been shown that the simultaneous effects of... 

Alumina flakes were prepared by solution combustion method and milled to provide powder. XRD and SEM data exhibited microsized flakes with 100 nm thickness and nanosized grains. Then the powders were dispersed in polystyrene (PS) and poly methyl methacrylate (PMMA) matrixes and thin sheets of composites were produced by solution method. Mechanical properties of the composites were characterized using tensile test and their fracture surfaces, elemental composition and hydrophobic property were tested by SEM, EDX and contact angle techniques, respectively. The results exhibited better mechanical properties compared to pure polymer samples i.e. the elastic modulus in PMMA and PS composites,... 

Hydrogels have been recognized as crucial biomaterials in the field of tissue engineering, regenerative medicine, and drug delivery applications due to their specific characteristics. These biomaterials benefit from retaining a large amount of water, effective mass transfer, similarity to natural tissues and the ability to form different shapes. However, having relatively poor mechanical properties is a limiting factor associated with hydrogel biomaterials. Controlling the biomechanical properties of hydrogels is of paramount importance. In this work, firstly, mechanical characteristics of hydrogels and methods employed for characterizing these properties are explored. Subsequently, the most... 

In this manuscript, synthesis of cobalt/poly vinyl alcohol (PVA)/gamma alumina nanocomposite via a simple room temperature, as well as its catalyst performance were explored. Brunauer–Emmett–Teller analysis, X-ray diffraction, X-ray photoelectron spectroscopy, and Fourier transform infrared spectroscopy were conducted. The surface area of the polymeric composite was obtained to be 280 m2/g. The cobalt loading on the nanocomposite was measured using inductivity couple plasma. Transmission electron microscopy analysis showed that the size of cobalt crystalline encapsulate inside the polymer was confined to 5 nm. Magnetic property analysis, using vibrating sample magnetometer, confirmed... 

The effect of graphene (G) and graphene oxide (GO), used as the nanofiller in polymer nanocomposites (NC), on the structural and dynamic properties of polymer chains, has been studied by means of molecular dynamics (MD) simulations. Two polymers, i.e., poly(propylene) and poly(vinyl alcohol), are employed as matrices to cover a wider range of polymer–filler interactions. The local structural properties, e.g., density profile, average Rg, and end-to-end distance as well as dynamic properties, e.g., estimated translational and orientational relaxation times, of polymer chains are studied. In addition, the interaction energies are estimated between polymers and nanofillers for different hybrid... 

A new polymer gel nanocomposite is fabricated for excess water production control (water shut off) in petroleum reservoirs and its rheological behavior is evaluated in the presence of sea water and formation water at the temperature of 100 °C. It is shown that at a high salinity without using SiO2 nanoparticles, the elastic modulus of synthesized polymer gel in the presence of sea water and formation water are 12.5 Pa and 9.8 Pa respectively. However by incorporation of SiO2 nanoparticles in the polymer gel matrix, the elastic modulus of synthesized polymer gel in the presence of sea water and formation water can be improved to 13.56 Pa and 11.57 Pa respectively, which is quite interesting... 

In this study, alumina-reinforced poly(methyl methacrylate) nanocomposites (PMMA/Al2O3) containing up to 20 vol% nanoparticles with an average diameter of 50 nm were prepared by friction stir processing. The effects of nanoparticle volume fraction on the microstructural features and mechanical properties of PMMA were studied. It is shown that by using a frustum pin tool and employing an appropriate processing condition, i.e. a rotational speed of 1600 rpm/min and transverse velocity of 120 mm/min, defect free nanocomposites at microscale with fine distribution of the nanoparticles can successfully been prepared. Mechanical evaluations including tensile, flexural, hardness and impact tests... 

Polymer-layered silicate nanocomposites have been observed to demonstrate enhanced mechanical properties particularly at low weight fractions of silicate. Experimental and theoretical investigations reveal that numerous structural parameters strongly influence the modulus of such nanocomposites. A multiscale micromechanical model is developed which considers a wide range of different affecting parameters including the particle aspect ratio, the number of silicate layers per stack, the d-spacing ratio between the layers, the penetration of polymer chains along silicate sheets, the intercalation feature, and the particle volume fraction. The developed model illustrates the accuracy and... 

In this article, a Molecular Structural Mechanics/Finite Element (MSM/FE) multiscale modeling of carbon nanotube/polymer composites with viscoelastic (VE) polymer matrix is introduced. The nanotube is modeled at the atomistic scale using structural molecular mechanics. The matrix deformation is analyzed by nonlinear finite element method considering VE behavior. The nanotube and matrix are assumed to be bonded by van der Waals interactions based on the Lennard-Jones potential at the interface. Using the MSM/FE multiscale model, we investigate the effect of carbon nanotube (CNT) on the improvement of mechanical stability of the nanocomposite. Also, the buckling behavior of these... 

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... 

A small volume fraction of Carbon Nanotubes (CNTs) added in a polymeric matrix increases significantly the mechanical properties of the polymers. It is experimentally determined from the TEM images of CNT-based nanocomposites that nanotubes don't stand straight in their embedded matrix and they have some curvature in their shape. The load transfer mechanism between CNT and polymer matrix is also one of the most important issues which is not understood explicitly, yet. In this paper a wavy Single Walled Carbon Nanotube (SWCNT) is modeled as inclusion in a polymer matrix and its effective mechanical properties is studied. This model is based on using 3-D Representive Volume Element (RVE) with... 

In this study, EVAc/PLA/organo clay nanocomposites were prepared via solution mixing method. The SEM images were used to investigate the morphology of nanocomposites revealing no phase separation or agglomeration of disperse phase in EVAc/PLA blends and nanocomposites. SAXS spectra confirmed the intercalated morphology of nanocomposites. Soil burial test were carried out and the rate of degradation of the samples were measured indirectly. Oxygen gas permeability of EVAc was slightly decreased by adding PLA to the matrix, when small loads of clay caused dramatic improvement in barrier properties. Melt rheological frequency sweep test illustrated the compatibility of EVAc with low contents of... 

A new polymer gel nanocomposite is fabricated for excess water production control (water shut off) in petroleum reservoirs and its rheological behavior is evaluated in the presence of sea water and formation water at the temperature of 100 °C. It is shown that at a high salinity without using SiO2 nanoparticles, the elastic modulus of synthesized polymer gel in the presence of sea water and formation water are 12.5 Pa and 9.8 Pa respectively. However by incorporation of SiO2 nanoparticles in the polymer gel matrix, the elastic modulus of synthesized polymer gel in the presence of sea water and formation water can be improved to 13.56 Pa and 11.57 Pa respectively, which is quite interesting... 

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... 

Heavy metals belong to a group of lethal environmental pollutants. Ongoing efforts targeted at safeguarding public health have led to considerable attention being focused on methods that allow efficient extraction of these toxic substances. Polymer nanocomposites (PNCs) with their special characteristics are a class of adsorbents that demonstrate high potential for use in heavy metal extraction. As this process of removal is predominantly governed by adsorption, various parameters in PNCs’ chemical structure, as well as the metal solutions, can have a significant effect on the adsorption process. Herein, this review undertakes a survey of recently developed PNCs and their metal adsorption... 

Mechanical properties and fracture toughness micromechanisms of copolypropylene filled with different amount of nanometric CaCO3 (5-15 wt %) were studied, J-integral fracture toughness was incorporated to measure the effect of incorporation of nanoparticle into PP matrix. Crack-tip damage zones and fracture surfaces were studied to investigate the effect of nanofiller content on fracture toughness micromechanisms. It was found that nanofiller acted as a nucleating agent and decreased the spherulite size of polypropylene significantly, J-integral fracture toughness (Jc) of nanocomposites was improved dramatically. The Jc value increased up to approximately two times that of pure PP at 5 wt %... 

In this paper, preparation of polyethylene/clay nanocomposites (PECNC) by in situ Ziegler-Natta catalyst polymerization was investigated. A Ziegler-Natta catalyst was first supported on montmorillonite (MMT) type clay and subsequently used for polymerizing ethylene. Clay and clay supported catalyst were characterized by Fourier transmission infrared and ICP method. X-ray diffraction (XRD) and transmission electron microscopy results show that silicate layers of the mineral clay in prepared nanocomposites were intercalated and exfoliated in the polymeric matrix. Differential scanning calorimetry results show that the prepared nanocomposites have higher crystallization temperature than pure... 

CNT-reinforced polymer composites have attracted attention due to their exceptional high strength. The high strength can be affected by the presence of defects in the nanotubes used as reinforcements in the practical nanocomposites. In this paper, a Molecular Structural Mechanics / Finite Element (MSM/FE) multiscale modeling is used to study the effect of carbon nanotube geometrical defects on the stability of SWCNT-polymer composites. Here, two types of representative volume elements (RVEs) for these nanocomposites are considered with perfect and defected CNT. These RVEs have the same dimensions. The nanotube is modeled at the atomistic scale using molecular structural mechanics whereas the... 

Silicon oxycarbide (SiOC) materials derived from silicone attracted great attention for their superior high-temperature behavior. In the present study, Si (Ti)OC and Si (Ti,Al)OC nanocomposites, in which alkoxide precursors were used with the main silicone precursor, have been compared with SiOC material. Although in SiOC, C was bonded with Si in a carbon-rich SiOC phase, X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) showed that TiC was the preferred state for C atoms upon adding Ti into the system. This claim was also substantiated by Raman spectroscopy, where adding Ti into the system lowered the intensity of the D band, indicating the high affinity of C to...