Sharif Digital Repository

A reliable model was used to describe the interfacial tension, composition, and density of the liquid-liquid interfaces of water-hydrocarbons. The parachor model was combined with the equality of the chemical potential of components at the interface and the bulk liquid. The fugacity coefficient was used for computing chemical potentials. To compute the fugacity coefficients of the components, various types of equations of state (The Valderrama Patel-Teja, cubic plus association, and the simplified Perturbed-Chain Statistical Association Fluid Theory) were utilized. These models were applied to the temperature and the pressure range of (285.65–423) K and (1–3000) bar, respectively. The... 

Characterization of the transcritical coaxial injectors, accounting for the geometrical features and thermodynamics nonlinearities, is of both practical and fundamental importance. In the present study, the interactions and effects of turbulent mixing and pseudo-boiling phenomena are investigated. To do this, the mixing dynamics of bi-shear jets injected under trans- and supercritical conditions has been investigated numerically using the large-eddy simulation technique. The numerical framework provides real-gas thermodynamics and transport properties, using the Peng-Robinson equation-of-state and Chung's models, respectively. The obtained flow quantities are in good agreement with the... 

A hybrid lattice Boltzmann and level set method (LBLSM) for two-phase immiscible fluids with large density differences is proposed. The lattice Boltzmann method is used for calculating the velocities, the interface is captured by the level set function and the surface tension force is replaced by an equivalent force field. The method can be applied to simulate two-phase fluid flows with the density ratio up to 1000. In case of zero or known pressure gradient the method is completely explicit. In order to validate the method, several examples are solved and the results are in agreement with analytical or experimental results. © 2008 Elsevier B.V. All rights reserved  

Catalytic partial oxidation of methane in short residence time rhodium coated monolithic reactors offers an attractive route for syngas production. The plug flow and boundary layer flow approximations are considered as computationally efficient substitutes for the full Navier-Stokes model of the reactor while including detailed heterogeneous and homogeneous chemistry. The one dimensional plug flow model has trivial computational demands but only a limited range of application. The boundary layer model provides an excellent, computationally manageable substitute for the full Navier-Stokes model over a wide range of operating conditions. Using the 38-step elementary surface reaction mechanism... 

The influences of cupric oxide layer thickness, cuprous oxide particles, and pores on mechanical properties and microstructure of alumina-copper eutectic bond have been investigated. The furnace atmosphere in the first stage was argon gas with 2 × 10-6 atm oxygen partial pressure. In the second stage, the furnace atmosphere was same as the first stage unless that in cooling between 900-1000 °C, the hydrogen gas was purged in furnace atmosphere. Finally, in the last stage a vacuum furnace with 5 × 10 -8 atm pressure was chosen for bonding procedure. Peel strength of first stage specimens shows that cupric oxide layer with 320 ± 25 nm thick generates the maximum peel strength (13.1 ± 0.3... 

Dynamic behavior of fluid-fluid interactions can potentially affect the performance of any enhanced oil recovery (EOR) process including low salinity water flooding. In this work, dynamic interfacial tension (IFT) of crude-oil/brine system is measured in a wide range of salinity of sea water (SW), from 50-time diluted sea water (SW50D) to 2-time concentrated sea water (SW2C). Contrary to the most of published IFT trends in the literature, for the system under investigation here, as the brine salinity increases the crude-oil/brine IFT reduces, which cannot be explained using the existing theories. The lack of a physical model to explain the observed phenomena was the motivation to develop a... 

Latent thermal energy storage dependent on Phase Change Materials (PCMs) proposes a possible answer for modifying the availability of alternating energy from renewable sources such as wind and solar. They can possibly store large amounts of energy in moderately tiny dimensions as well as through almost isothermal procedures. Notwithstanding, low thermal conductivity values is a significant disadvantage of the present PCMs which critically restrict their energy storage usage. Likewise, this unacceptably decreases the solidification/melting rates, hence causing the system response time to be excessively lengthy. The present examination accomplished a better PCM solidification rate with a... 

In this paper, the creep deformation mechanisms are investigated in nickel-based single crystal superalloys. Two-dimensional molecular dynamics (MD) simulations are conducted to model various temperatures, stress conditions, and phase interface crystal orientations. Ni-based single-crystal superalloys are of great importance in the aircraft industry due to their excellent high temperature creep resistance. This characteristic mainly originates from two features considered in their structure; firstly, their two-phase micro-structure comprising gamma γ and gamma prime γ′, and secondly the nature of this superalloy itself, which is a single-crystal. MD is a powerful tool to gain insight into... 

Biodegradable magnesium (Mg) alloys exhibit great potential for use as temporary structures in tissue engineering applications. Such degradable implants require no secondary surgery for their removal. In addition, their comparable mechanical properties with the human bone, together with excellent biocompatibility, make them a suitable candidate for fracture treatments. Nevertheless, some challenges remain. Fast degradation of the Mg-based alloys in physiological environments leads to a loss of the mechanical support that is needed for complete tissue healing and also to the accumulation of hydrogen gas bubbles at the interface of the implant and tissue. Among different methods used to... 

The aim of this study is to investigate the role of the temperature, stress, and rhenium (Re) on the γ/γ' interfacial misfit dislocation network and mechanical response of Ni-based single crystal superalloys. After aging at elevated temperatures, mismatch between the two phases results in an interfacial dislocation network to relieve the coherency stress. Molecular dynamics (MD) simulations have been performed to study the properties of the (100), (110), and (111) phase interface crystallographic directions. Increasing temperature disperses the atomic potential energy at the interface diminishing the strength and stability of the networks. In the case of loading, when a constant strain rate... 

The creation of surfaces with various super nonwetting properties is an ongoing challenge. We report diverse modifications of novel synthesized zirconia-ceria nanocomposites by different low surface energy agents to fabricate nanofluids capable of regulating surface wettability of mineral substrates to achieve selective superhydrophobic, superoleophobic-superhydrophilic, and superamphiphobic conditions. Surfaces treated with these nanofluids offer self-cleaning properties and effortless rolling-off behavior with sliding angles ≤7° for several liquids with surface tensions between 26 and 72.1 mN/m. The superamphiphobic nanofluid coating imparts nonstick properties to a solid surface whereby... 

Sloshing, or liquid free surface oscillation, in containers has many important applications in a variety of engineering fields. The modal method can be used to solve linear sloshing problems and is the most efficient reduced order method that has been used during the previous decade. In the present article, the modal method is used to solve a nonlinear sloshing problem. The method is based on a potential flow solution that implements a two-phase analysis on sloshing in a rectangular container. According to this method, the solution to the mass conservation equation, with a nonpenetration condition at the tank walls, results in velocity potential expansion; this is similar to the mode shapes... 

The effect of surface and interface elasticity in the analysis of the Saint-Venant torsion problem of an eccentrically two-phase fcc circular nanorod is considered; description of the behavior of such a small structure via usual classical theories cease to hold. In this work, the problem is formulated in the context of the surface/interface elasticity. For a rigorous solution of the proposed problem, conformal mapping with a Laurent series expansion are employed together. The numerical results well illustrate that the torsional rigidity and stress distribution corresponding to such nanosized structural elements are significantly affected by the size. In order to employ surface and interface... 

We investigate heat transfer between parallel plates separated by liquid argon using two-dimensional molecular dynamics (MD) simulations incorporating with 6-12 Lennard-Jones potential between molecule pairs. In molecular dynamics simulation of nanoscale flows through nanochannels, it is customary to fix the wall molecules. However, this approach cannot suitably model the heat transfer between the fluid molecules and wall molecules. Alternatively, we use thermal walls constructed from the oscillating molecules, which are connected to their original positions using linear spring forces. This approach is much more effective than the one which uses a fixed lattice wall modeling to simulate the... 

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... 

The present study deals with the structure-property relationship of organoclay (OC) filled nanocomposites based on rubber blend comprising of nitrile-butadiene rubber (NBR) and phenolic resin (PH). To obtain a better insight into the characteristics of the NBR/PH/OC hybrid system, a simple model system consisting of NBR/OC nanocomposites is also taken into consideration. A series of NBR/OC and NBR/PH/OC nanocomposites containing a wide range of OC concentrations (2.5-30 phr) are prepared by using traditional open two-roll mill. Structural analysis performed by X-ray diffraction (XRD), scanning electron microscope (SEM), and transmission electron microscope (TEM) exhibits mixed exfoliated and... 

Effect of organoclay (OC) on the performance of styrene-butadiene rubber (SBR)/phenolic resin (PH) blend prepared by two-roll mill was investigated. The influence of OC content ranging between 2.5 and 30 phr on the performance of SBR/PH was investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM), interfacial energy analysis, tensile, dynamic mechanical, swelling, cure rheometry and thermogravimetric analysis (TGA). It was found that the OC is mainly localized in the SBR phase of SBR/PH blend through the kinetically favored mechanism relevant to rubber chains. The results also demonstrated the positive role of PH on the dispersion of OC. Both PH and OC showed... 

Stepwise-graded composite layer of M2 tool stel and 17-4PH stainless steel was fabricated by a simple powder layering technique and the isothermal and nonisothermal sintering response of the bilayer were examined. It was shown that the materials exhibit poor compatibility during co-sintering, i.e., the amount of mismatch shrinkage is significant. An improved compatibility was obtained by adding 0.2 wt% B to the stainless steel powder. Formation of relatively dense layer at the bonding zone indicated an enhanced densification rate at the interface. Microstructural studies showed formation of a ferritic interface in M2/17-4PH composite and elongated grains with an intergranular boride phase... 

Sintering response and phase formation during sintering of WC-Co/316L stainless steel composites produced by assembling of powder injection molding (PIM) parts were studied. It is shown that during cosintering a significant mismatch strain (>4 pct) is developed in the temperature range of 1080 °C to 1350 °C. This mismatch strain induces biaxial stresses at the interface, leading to interface delamination. Experimental results revealed that sintering at a heating rate of 20 K/min could be used to decrease the mismatch strain to <2 pct. Meanwhile, WC is decomposed at the contact area and the diffusion of C and Co into the iron lattice results in the formation of a liquid and MC and M6C... 

Bead-chain-like ZnO nanoparticles (NPs) formed in colloidal solution from oriented attachment (OA) of spherical nanoparticles. Arc discharge in liquid is a cost-effective method for quick mass production of nanostructured materials without considerable environmental footprints. Applying voltage across two zinc rods as electrodes, which were immersed in water cause explosion of electrodes and plasma generation. Zn/ZnO nanocomposites produced by interaction of different active species in high-pressure and high-temperature plasma at the solid-liquid interface. Different sized nanoparticles with diameters of 26, 35, 40 and 60 nm at applied discharge currents of 150, 100, 50 and 20 A...