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    The impact of the electrical behavior of oil-brine-rock interfaces on the ionic transport rate in a thin film, hydrodynamic pressure, and low salinity waterflooding effect

    , Article Colloids and Surfaces A: Physicochemical and Engineering Aspects ; Volume 620 , 2021 ; 09277757 (ISSN) Pourakaberian, A ; Mahani, H ; Niasar, V ; Sharif University of Technology
    Elsevier B.V  2021
    Abstract
    Wettability alteration is the principal low-salinity-effect (LSE) in many oil-brine-rock (OBR) systems. Our recent experimental results have demonstrated that wettability alteration by low salinity is slow. It is expected that the electrical behavior of oil/brine and rock/brine interfaces and the water film geometry control both the transient hydrodynamic pressure, and the time-scale of ionic transport in the film, thus the kinetics and degree of wettability alteration. In this paper, the electro-diffusion process induced by the imposed ionic strength gradient is simulated by solving Poisson-Nernst-Planck equations in a water film bound between two charged surfaces, using a finite... 

    Extension of the Macroscopic Traffic Flow Model

    , Ph.D. Dissertation Sharif University of Technology Mohammad Pour, Ismael (Author) ; Nassiri, Habibollah (Supervisor)
    Abstract
    Traffic flow modeling on different levels was always the topic of many studies. In this regard, many researchers have tried to eliminate traffic problems by developing precise models. Therefore, in this study and in its two major parts, we developed two models: one macroscopic and one microscopic. Like previous studies, the main purpose here was the development of traffic flow models that have better precision and give more information about the mechanism behind the traffic phenomena. Our focus was on the free spaces in front of drivers which were considered in a macroscopic traffic flow model and resulting microscopic traffic flow model.First part, addresses the first-order extension of the... 

    Experimental Investigation of Molecular Diffusion Coefficients of Gas-Oil for the Iranian Oil Field Fluids

    , M.Sc. Thesis Sharif University of Technology Mirjordavi, Navid (Author) ; Kazemeini, Mohammad (Supervisor) ; Kharat, Reyaz (Supervisor) ; Ghazanfari, Mohammad Hossein (Co-Advisor)
    Abstract
    Molecular diffusion of gases in crude oils plays a crucial role in several oil recovery processes especially in cold-based production process. Nowadays, heavy oil is a considerable part of the world hydrocarbon reservoirs and its importance increases as the ordinary oil reserves decrease. The main obstacle in heavy oil production is its low mobility (i.e. high viscosity). This difficulty can be easily solved by injecting gas solvent in these reservoirs. However, experimental data concerning CO2 diffusivity in heavy oils due to the tedious nature of diffusivity measurements are relatively rare in the open literature. In this work, a comprehensive experimental investigation of the effective... 

    Experimental Study for Determining the Diffusion Coefficient of Nitrogen and Methane Gases in Crude Oil

    , M.Sc. Thesis Sharif University of Technology Ghorbani, Mohammad (Author) ; Ghazanfari, Mohammad Hossein (Supervisor)
    Abstract
    Gas injection is one of the common methods for enhance oil recovery from oil reservoirs. At miscible injection condition, the efficiency of the process is majorly affected by the molecular diffusion coefficient of the gas in the oil. Therefore, the accurate value of this coefficient is an essential for applying in reservoir simulator. However, determination of this coefficient only is possible through experimental methods. In this study, pressure decay method was applied to determine the diffusion coefficient of nitrogen, methane and carbon dioxide gases in crude oil. The reasons for choosing this method are : accuracy in designing the experiment, covering a wide range of pressure... 

    Determination of Diffusion Coefficients of the Multi-components Gas-crude Oil Systems Considering Oil Swelling Effects at High Pressure High Temperature Conditions

    , M.Sc. Thesis Sharif University of Technology Rostami, Keyvan (Author) ; Ghazanfari, Mohammad Hossein (Supervisor)
    Abstract
    gas injection method is one of the common methods of EOR, which has a long history. In gas injection, molecular entry gas mixing is the controlling factor of oil play. Therefore, the exact value of this coefficient becomes an important requirement for the simulation and modeling of oil reservoirs, which can only be determined by laboratory consumption methods. In this research, the pressure decay method is used as a common laboratory method to determine the penetration coefficient of methane, nitrogen and gas enriched with intermediate compounds in crude oil of one of Iran's oil reservoirs. In most of the available records in the investigation of the mentioned gas diffusion coefficient in... 

    Synthesis and Evaluation of Modified Zeolites for Separation of Acidic Gases

    , M.Sc. Thesis Sharif University of Technology Najafi, Amir Mohammad (Author) ; Khorasheh, Farhad (Supervisor) ; Soltanali, Saeed (Supervisor) ; Ghasabzadeh, Hamid (Co-Supervisor)
    Abstract
    The adsorption equilibria of carbon dioxide, methane, and nitrogen on pelletized cation-exchanged faujasite zeolite (with alkali, alkaline earth, and transition metal ions) have been investigated by a volumetric apparatus. The standard instrumental analytical techniques, including X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM) coupled with energy dispersive X-ray spectroscopy (EDX), and atomic absorption spectroscopy (AAS) were utilized to characterize binder-free modified zeolites. The EDX spectra and AAS results revealed that the ion-exchange was successfully achieved with expected tendencies. The results indicate that the type of cation present in the zeolite... 

    Molecular Dynamics Simulation of Hydrogen Diffusion into Brine: Implications for Underground Hydrogen Storage

    , M.Sc. Thesis Sharif University of Technology Kalati, Saba (Author) ; Ayatollahi, Shahaboddin (Supervisor) ; Mahani, Hassan (Supervisor) ; Pourkhiabani, Nahid (Co-Supervisor) ; Esmaeilbeig, Mohammad Amin (Co-Supervisor)
    Abstract
    The high consumption of worldwide fossil energy and its detrimental effects on the environment and climate have prompted a transition toward renewable energy sources. The availability of renewable energy sources depends on weather and seasonal changes; therefore, an imbalance between supply and demand would be unavoidable. Hydrogen storage as an energy carrier, can fulfill this energy mismatch. Storing hydrogen in underground formations, such as aquifers, has been the subject of extensive research recently. In these storage reservoirs, hydrogen contacts the resident brine which will be lost through the dissolution-diffusion mechanism. Therefore, successful design of these storages requires... 

    Diffusion and solid solution formation between the binary carbides of TaC, HfC and ZrC

    , Article International Journal of Refractory Metals and Hard Materials ; Volume 41 , 2013 , Pages 180-184 ; 02634368 (ISSN) Ghaffari, S. A ; Faghihi Sani, M. A ; Golestani Fard, F ; Nojabayy, M ; Sharif University of Technology
    2013
    Abstract
    In this work, phase evolution, solid solution formation and diffusion behavior of three binary systems, including TaC-HfC, TaC-ZrC and HfC-ZrC, were investigated. In this regard, pure carbide powders of TaC, HfC, and ZrC were selected as starting raw materials. The prepared samples were heat treated at 2000 C for 1 hour in Ar atmosphere. For each system, three compositions were chosen for phase evolution investigation by X-ray diffractometer. Moreover, three couple samples were prepared for diffusion behavior survey through SEM/EDX analyses. It was found that ZrC diffuses faster in TaC structure rather than HfC and a single phase solid solution phase with hosting TaC is formed in TaC-HfC and... 

    Steered molecular dynamic simulation approaches for computing the blood brain barrier (BBB) diffusion coefficient

    , Article IFMBE Proceedings ; Volume 51 , 2015 , Pages 1699-1703 ; 16800737 (ISSN) ; 9783319193878 (ISBN) Pedram, M. Z ; Shamloo, A ; Alasti, A ; Zadeh, E. G ; Jaffray D. A ; Sharif University of Technology
    Springer Verlag  2015
    Abstract
    In the recent years a great attention of research deals with different physical and biological aspects of the BBB structure, a robust shield that separates the blood and brain, a recent research held by the authors of this paper has focused on figuring out computing the diffusion coefficient of endothelial cell membrane. In this study, the major efforts have been concentrated on calculating a standardized measure for the amount of permeability and diffusion of this barrier. As a result, this work is dedicated to molecular dynamics (MD) simulation of calculating the interaction force between nano-particle and BBB membrane. data is recorded by using steered molecular dynamics simulation and... 

    Properties of Nafion Under Uniaxial Loading at Different Temperatures: A Molecular Dynamics Study

    , Article Polymer - Plastics Technology and Engineering ; Volume 54, Issue 8 , 2015 , Pages 806-813 ; 03602559 (ISSN) Ozmaian, M ; Naghdabadi, R ; Sharif University of Technology
    Taylor and Francis Inc  2015
    Abstract
    Nafion membrane encounters many different thermal conditions and mechanical loadings because of its wide range of applications as a proton exchange membrane (PEM). Molecular dynamics simulation of hydrated Nafion at different temperatures is carried out to investigate the alteration of the physical properties of Nafion under uniaxial loading over a wide range of temperatures. According to the simulation results, increase of the temperature reduces the yield stress. The results also show that the polymer chains ordering increases the glass transition temperature and enhances the self-diffusion coefficient of water in hydrated Nafion. Comparisons show that the elastic modulus and viscosity... 

    Discrete scale invariance and stochastic Loewner evolution

    , Article Physical Review E - Statistical, Nonlinear, and Soft Matter Physics ; 2010 , Volume 82, Issue 6 ; 15393755 (ISSN) Ghasemi Nezhadhaghighi, M ; Rajabpour, M. A ; Sharif University of Technology
    2010
    Abstract
    In complex systems with fractal properties the scale invariance has an important rule to classify different statistical properties. In two dimensions the Loewner equation can classify all the fractal curves. Using the Weierstrass-Mandelbrot (WM) function as the drift of the Loewner equation we introduce a large class of fractal curves with discrete scale invariance (DSI). We show that the fractal dimension of the curves can be extracted from the diffusion coefficient of the trend of the variance of the WM function. We argue that, up to the fractal dimension calculations, all the WM functions follow the behavior of the corresponding Brownian motion. Our study opens a way to classify all the... 

    Simulation of vacancy diffusion in a silver nanocluster

    , Article Chemical Physics Letters ; Volume 498, Issue 4-6 , 2010 , Pages 312-316 ; 00092614 (ISSN) Taherkhani, F ; Negreiros, F. R ; Parsafar, G ; Fortunelli, A ; Sharif University of Technology
    Abstract
    The formation and diffusion of a vacancy in a silver nanocluster are studied via a combination of first-principles and statistical mechanics simulations. A 38-atom truncated-octahedral (TO) arrangement and its homologue with 37 Ag atoms and one vacancy are considered, and density-functional calculations are performed to derive the energies of the local minima and the energy barriers connecting them. These data are then used as an input for a study of the system dynamics via a kinetic Monte Carlo algorithm, evaluating site occupancies, diffusion coefficient and equilibration time. It is found that vacancy formation and diffusion represents a viable path for atom-atom exchange in these... 

    Rarefaction effects on gas mixing in micro- and nanoscales

    , Article ASME 2016 5th International Conference on Micro/Nanoscale Heat and Mass Transfer, MNHMT 2016, 4 January 2016 through 6 January 2016 ; Volume 1 , 2016 ; 9780791849651 (ISBN) Darbandi, M ; Sabouri, M ; Heat Transfer Division ; Sharif University of Technology
    American Society of Mechanical Engineers  2016
    Abstract
    We present the rarefaction effects on diffusive mass transport in micro- and nanoscales using the results of direct simulation Monte Carlo DSMC method. Unlike the previous investigations, the momentum and heat contributions are eliminated from the computations via uniform velocity, pressure, and temperature field considerations. The effects of global Knudsen number on the diffusion phenomenon are studied for the same Peclet number and a unique mixer shape. The results indicate that there is considerable weakening in diffusion mechanism for high Knudsen number cases. As a result, the non-dimensional diffusive mass fluxes would decrease and the non-dimensional mixing length would increase as... 

    Unified model of brain tissue microstructure dynamically binds diffusion and osmosis with extracellular space geometry

    , Article Physical Review E - Statistical, Nonlinear, and Soft Matter Physics ; Volume 94, Issue 3 , 2016 ; 15393755 (ISSN) Yousefnezhad, M ; Fotouhi, M ; Vejdani, K ; Kamali Zare, P ; Sharif University of Technology
    American Physical Society  2016
    Abstract
    We present a universal model of brain tissue microstructure that dynamically links osmosis and diffusion with geometrical parameters of brain extracellular space (ECS). Our model robustly describes and predicts the nonlinear time dependency of tortuosity (λ=D/D∗) changes with very high precision in various media with uniform and nonuniform osmolarity distribution, as demonstrated by previously published experimental data (D = free diffusion coefficient, D∗ = effective diffusion coefficient). To construct this model, we first developed a multiscale technique for computationally effective modeling of osmolarity in the brain tissue. Osmolarity differences across cell membranes lead to changes... 

    Quantifying the direct influence of diffusive mass transfer in rarefied gas mixing simulations

    , Article Journal of Fluids Engineering, Transactions of the ASME ; Volume 140, Issue 3 , March , 2018 ; 00982202 (ISSN) Darbandi, M ; Sabouri, M ; Sharif University of Technology
    American Society of Mechanical Engineers (ASME)  2018
    Abstract
    This work utilizes the direct simulation Monte Carlo (DSMC) calculations and examines the influence of rarefication on the mixing length and effective diffusion coefficient in a two-species mixing problem. There have been efforts in past rarefied mixing flow studies to bridge between the mixing evolution rate and Knudsen number. A careful review of those efforts shows that the past derived relations did not determine the weights of Reynolds (or Peclet) number in the rarefaction influences. Although they indicated that an increase in Knudsen would decrease the mixing length, such reductions were primarily due to the Reynolds (or Peclet) reduction. Therefore, those studies could not explicitly... 

    How chassis structure and substrate crystalline direction affect the mobility of thermally driven p-carborane-wheeled nanocars

    , Article Journal of Physical Chemistry C ; Volume 123, Issue 8 , 2019 , Pages 4805-4824 ; 19327447 (ISSN) Hosseini Lavasani, S. M ; Nejat Pishkenari, H ; Meghdari, A ; Sharif University of Technology
    American Chemical Society  2019
    Abstract
    In recent years, various nanocars have been synthesized in order to provide controlled mechanical function, transport other nanoparticles, or enable bottom-up assembly capability. There have even been racing competitions among well-known nanocars in which the wheels play an influential role. In this paper, the motion of thermally driven nanocars equipped with p-carborane wheels on Au(111) and Au(001) substrates is investigated. For the sake of comparison, classical all-atom molecular dynamics (MD) and rigid-body MD (RBMD) have been used to study the motion threshold as well as to analyze the effect of temperature, substrate crystalline direction, and chassis shape on the diffusive motion of... 

    How chassis structure and substrate crystalline direction affect the mobility of thermally driven p-carborane-wheeled nanocars

    , Article Journal of Physical Chemistry C ; 2019 ; 19327447 (ISSN) Hosseini Lavasani, S. M ; Pishkenari, H. N ; Meghdari, A ; Sharif University of Technology
    American Chemical Society  2019
    Abstract
    In recent years, various nanocars have been synthesized in order to provide controlled mechanical function, transport other nanoparticles, or enable bottom-up assembly capability. There have even been racing competitions among well-known nanocars in which the wheels play an influential role. In this paper, the motion of thermally driven nanocars equipped with p-carborane wheels on Au(111) and Au(001) substrates is investigated. For the sake of comparison, classical all-Atom molecular dynamics (MD) and rigid-body MD (RBMD) have been used to study the motion threshold as well as to analyze the effect of temperature, substrate crystalline direction, and chassis shape on the diffusive motion of... 

    Analysis of non-stationary data for heart-rate fluctuations in terms of drift and diffusion coefficients

    , Article Journal of Biological Physics ; Volume 32, Issue 2 , 2006 , Pages 117-128 ; 00920606 (ISSN) Ghasemi, F ; Sahimi, M ; Peinke, J ; Rahimi Tabar, M. R ; Sharif University of Technology
    2006
    Abstract
    We describe a method for analyzing the stochasticity in non-stationary data for the beat-to-beat fluctuations in the heart rates of healthy subjects, as well as those with congestive heart failure. The method analyzes the return time series of the data as a Markov process, and computes the Markov time scale, i.e., the time scale over which the data are a Markov process. We also construct an effective stochastic continuum equation for the return series. We show that the drift and diffusion coefficients, as well as the amplitude of the return time series for healthy subjects are distinct from those with CHF. Thus, the method may potentially provide a diagnostic tool for distinguishing healthy... 

    Estimation of mean radius, length and density of microvasculature using diffusion and perfusion MRI

    , Article Scientia Iranica ; Volume 13, Issue 4 , 2006 , Pages 348-354 ; 10263098 (ISSN) Ashoor, M ; Jahed, M ; Chopp, M ; Mireshghi, A ; Sharif University of Technology
    Sharif University of Technology  2006
    Abstract
    In theory, diffusion and perfusion information in MRI maps can be combined to yield morphological information, such as capillary density, volume and possibly capillary plasma velocity. This paper suggests a new method for determination of mean radius, length and capillary density in normal regions using diffusion and perfusion MRI. Mean Transit Time (MTT), Cerebral Blood Volume (CBV), Apparent Diffusion Coefficient (ADC), pseudo-diffusion coefficient (D*) and ΔR2 and ΔR2* values were utilized to calculate mean radius, length and capillary density. To verify the proposed theory, a special protocol was designed and tested on normal regions of a male Wistar rat using obtained functions. Mean... 

    Introducing a new definition towards clinical detection of microvascular changes using diffusion and perfusion MRI

    , Article Scientia Iranica ; Volume 12, Issue 1 , 2005 , Pages 109-115 ; 10263098 (ISSN) Ashoor, M ; Jiang, Q ; Chopp, M ; Jahed, M ; Sharif University of Technology
    Sharif University of Technology  2005
    Abstract
    Based on MRI diffusion and perfusion, a new criterion for detection and the healing progress of damaged tissue is suggested. The study is based on the ratio of capillary radii in symmetrical damaged and normal tissue neighboring spaces. The Apparent Diffusion Coefficient (ADC) and Cerebral Blood Flow (CBF) were measured in the brain tissues of six male Wistar rats utilizing suggested MRI measurement techniques. The ADC values of damaged and normal regions were (392 ± 34.1) × 10-6 mm2s-1 and (659 ± 40.7) × 10-6 mm2s-1, respectively. The CBF values of damaged and normal regions were 14.5 ± 10.13 ml/min/ 100 g and 125 ± 41.03 ml/min/100 g, respectively. The geometrical parameters of the...