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koleini--mhammad-mehdi
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Investigation of Interface Phenomena in Low Salinity/Smart Waterflooding by Applying Molecular Dynamics Simulation
, Ph.D. Dissertation Sharif University of Technology ; Ayatollahi, Shahab (Supervisor) ; Ghazanfari, Mohammad Hossein (Supervisor) ; Koleini, Mhammad Mehdi (Co-Supervisor)
Abstract
Low salinity/smart waterflooding is simple to apply and a promising enhanced oil recovery method in which ion-tuned saltwater is injected into subsurface oil reservoirs. Many aspects of this operation, in particular those pertaining to nano-scale, are not yet fully understood. The present dissertation is an attempt to shed light on the microscopic properties and behavior of rock/brine/oil interfaces throughout low salinity/smart waterflooding. Several simulations were carried out for oil/brine and calcite/brine categories each containing various ions and hydrocarbons compounds. The surface contribution of non-functional oil compounds (aromatics and aliphatics) near brine medium was...
Evalution of Aerosol Optical Depth Modeled by CMAQ
, M.Sc. Thesis Sharif University of Technology ; Arhami, Mhammad (Supervisor)
Abstract
Particuale matters, as a criterion for evaluationg the air quality, have been one of the most important air pollutants through the last decade. Considering the adverse health effects of particulate matters, the importance of monitoring pollutant’s concentration is inevitable. While there are monitoring stations for evaluating the air quality, our knowledge is so limtted since there are few stations working, so there is a spatial and temporal gap. On the other hand, chemical transport models and remote sensing provide us a better chance to track the air quality thoroughly. Since chemical transport models are our only way of filling the gaps, they should be rigorous and accurate. In this study...
Investigation of the Governing Liquid-Liquid Interactions at the Oil-Brine Interface in Low-Salinity Waterflooding using Molecular Dynamics Simulations
, M.Sc. Thesis Sharif University of Technology ; Mahani, Hassan (Supervisor) ; Ayatollahi, Shahaboddin (Supervisor) ; Pourkhiabani, Nahid (Co-Supervisor) ; Koleini, Mohammad Mehdi (Co-Supervisor)
Abstract
The characteristics of the brine-crude oil interface in hydrocarbon reservoirs are very important, especially during water-based enhanced oil recovery (EOR) operations such as low-salinity waterflooding. At the interface of the two aforementioned fluids, the interaction mechanisms between the molecules of these two non-miscible fluids would affect capillary forces hence the efficiency of the EOR method. However, based on the published literature, there are still many open questions and uncertainties about the interaction of oil and brine molecules at the interface and their roles in the interfacial tension (IFT) changes for different oil and brine compositions. In this regard, molecular...
Evaluation of partial least-squares regression with multivariate analytical figures of merit for determination of 10 pesticides in milk
, Article International Journal of Environmental Analytical Chemistry ; March , 2020 ; Balsini, P ; Parastar, H ; Sharif University of Technology
Taylor and Francis Ltd
2020
Abstract
A multi-residue method using gas chromatography coupled with flame ionisation detector has been developed for simultaneous determination of 10 pesticides in milk. The methodology involved a sample clean-up procedure using ‘quick, easy, cheap, effective, rugged and safe’ followed by a preconcentration step based on dispersive liquid–liquid microextraction. In this regard, acetonitrile was added to the milk sample with specific pH and ionic strength, and the mixture was rigorously shaken. The extracts were centrifuged; then, the organic phase (acetonitrile) was transferred to a test tube and was mixed with deionised water. The mixture was sonicated and chloroform was added as an acceptor phase...
Evaluation of partial least-squares regression with multivariate analytical figures of merit for determination of 10 pesticides in milk
, Article International Journal of Environmental Analytical Chemistry ; Volume 102, Issue 8 , 2022 , Pages 1900-1910 ; 03067319 (ISSN) ; Balsini, P ; Parastar, H ; Sharif University of Technology
Taylor and Francis Ltd
2022
Abstract
A multi-residue method using gas chromatography coupled with flame ionisation detector has been developed for simultaneous determination of 10 pesticides in milk. The methodology involved a sample clean-up procedure using ‘quick, easy, cheap, effective, rugged and safe’ followed by a preconcentration step based on dispersive liquid–liquid microextraction. In this regard, acetonitrile was added to the milk sample with specific pH and ionic strength, and the mixture was rigorously shaken. The extracts were centrifuged; then, the organic phase (acetonitrile) was transferred to a test tube and was mixed with deionised water. The mixture was sonicated and chloroform was added as an acceptor phase...
Kinetic Study of Carbonylation of Methanol Using Homogenous Iridium Catalyst
, M.Sc. Thesis Sharif University of Technology ; Kazemeini, Mohammad (Supervisor) ; Mhammad Rezaee, Alireza (Supervisor)
Abstract
Homogenous carbonylation of methanol is a major way to acetic acid. In this study central composite design (CCD) at five level (-1.63, -1, 0, +1, +1.63) combined with response surface methodology (RSM) have been applied to optimize carbonylation of methanol using ruthenium promoted iridium catalyst in homogenous phase. The effect of seven process variables including; temperature, pressure, iridium, ruthenium, methyl iodide, methyl acetate and water concentrations as well as, their interactions were modeled. The determined R2 values greater than 0.9 for the rate, methane, carbon dioxide and hydrogen formation data, confirmed quadratic equation properly fitted obtained experimental data. The...
An atomistic insight into interfacial properties of brine nanofilm confined between calcite substrate and hydrocarbon layer
, Article Applied Surface Science ; Volume 490 , 2019 , Pages 89-101 ; 01694332 (ISSN) ; Badizad, M. H ; Ayatollahi, S ; Sharif University of Technology
Elsevier B.V
2019
Abstract
Molecular dynamics simulation was applied in this study to scrutinize the interfacial properties of water nano-film confined between calcite mineral and hydrocarbon layer, as two intrinsically different media. Such system resembles the environment experienced by water molecules in the pore spaces of underground carbonate reservoirs. The interplay between water film and confining phases, oil and mineral, strongly influences hydrocarbon production process; however, there is a lack of detailed understanding of the involved interactions. MD simulations indicate development of several layers with different water densities in the confined brine. Water molecules form well-ordered structure in three...
Effects of low salinity water on calcite/brine interface: a molecular dynamics simulation study
, Article Colloids and Surfaces A: Physicochemical and Engineering Aspects ; Volume 537 , January , 2018 , Pages 61-68 ; 09277757 (ISSN) ; Fattahi Mehraban, M ; Ayatollahi, S ; Sharif University of Technology
Elsevier B.V
2018
Abstract
Calcite is among the most abundant minerals organizing the oil reservoir formation and therefore its surface properties play a central role in the increase of the oil recovery efficiency. The effect of low-salinity water in carbonate rocks reveals that brine composition and salinity can improve the oil recovery in carbonates through wettability alteration. However, the specific mechanism for wettability changes that leads to improved oil recovery in calcite is not well understood. To obtain deeper insights at atomic level into the understanding the characteristics of the calcite-water interface, we performed classical molecular dynamics simulations in the presence of different ions in brine...
An atomistic insight into the implications of ion-tuned water injection in wetting preferences of carbonate reservoirs
, Article Journal of Molecular Liquids ; Volume 293 , 2019 ; 01677322 (ISSN) ; Badizad, M. H ; Ghatee, M. H ; Ayatollahi, S ; Sharif University of Technology
Elsevier B.V
2019
Abstract
The efficiency of water flooding methods is known to improve by applying ion-tuned water injection. Although there is a consensus that such improvement happens through reversing reservoir wettability characteristics to more water-wet state, the true impact of ions is still ambiguous among contradictory debates. The well-known molecular dynamics (MD) simulation techniques would shed light on such ambiguities to gain deep atomic-scale understanding of the process. Results from MD simulations show that the presence of Na+ and Cl¯ ions leads to the formation of an electrical double layer in adjacency of calcite surface while Mg2+ ions dominantly make complexes with hydrocarbons throughout the...
Interactions between Rock/Brine and Oil/Brine interfaces within thin brine film wetting carbonates: A molecular dynamics simulation study
, Article Energy and Fuels ; Volume 33, Issue 9 , 2019 , Pages 7983-7992 ; 08870624 (ISSN) ; Badizad, M. H ; Kargozarfard, Z ; Ayatollahi, S ; Sharif University of Technology
American Chemical Society
2019
Abstract
The thin brine film that wets rock surfaces governs the wettability of underground reservoirs. The ionic composition and salinity of this nanosized brine film influence the wetting preference of the rock pore space occupied by hydrocarbons. Despite numerous investigations over the last decades, a unanimous fundamental understanding that concerns the contribution of ions in the original wetting state of the reservoir is lacking and hence the mechanisms responsible for the wettability reversal of the mineral are still unclear. This wettability reversal is the main consequence of ion-Tuned waterflooding. Although the method is widely accepted in practice, there is no universal consensus on the...
The impact of salinity on ionic characteristics of thin brine film wetting carbonate minerals: An atomistic insight
, Article Colloids and Surfaces A: Physicochemical and Engineering Aspects ; Volume 571 , 2019 , Pages 27-35 ; 09277757 (ISSN) ; Badizad, M. H ; Kargozarfard, Z ; Ayatollahi, S ; Sharif University of Technology
Elsevier B.V
2019
Abstract
Connate water has been coexisting with oil and mineral for centuries within underground reservoirs. The oil recovery techniques, such as low salinity water injection, disturb this prolonged equilibrium state of oil/brine/rock system. However, a thorough understanding of this complex equilibrium in the reservoir is still lacking. In this study, we performed molecular dynamics simulations to provide quantitative comprehension of the thin brine film characteristics that wets carbonate reservoir rocks at molecular level. While an electric double layer is formed at the interface of calcite/low salinity water, the ions in the high saline water form several aggregates of ions. We found that these...
The impact of salinity on the interfacial structuring of an aromatic acid at the calcite/brine interface: an atomistic view on low salinity effect
, Article Journal of Physical Chemistry B ; Volume 124, Issue 1 , December , 2020 , Pages 224-233 ; Badizad, M. H ; Hartkamp, R ; Ayatollahi, S ; Ghazanfari, M. H ; Sharif University of Technology
American Chemical Society
2020
Abstract
This study aims to elucidate the impact of salinity on the interactions governing the adsorption of polar aromatic oil compounds onto calcite. To this end, molecular dynamics simulations were employed to assess adsorption of a model polar organic molecule (deprotonated benzoic acid, benzoate) on the calcite surface in NaCl brines of different concentration levels, namely, deionized water (DW), low-salinity water (LS, 5000 ppm), and sea water (SW; 45,000 ppm). Calcite was found to be completely covered by several well-ordered water layers. The top hydration layer is very compact and prevents direct adsorption of benzoates onto the substrate. Instead, Na+ ions form a distinct positively...
On the protonated forms of alkyl-bonded polycyclic aromatic heterocycles: Structure prediction and characterization using density functional theory
, Article Journal of Physics and Chemistry of Solids ; Volume 175 , 2023 ; 00223697 (ISSN) ; Khorram, M ; Koleini, M. M ; Ayatollahi, S ; Zolghadr, A. R ; Sharif University of Technology
Elsevier Ltd
2023
Abstract
When alkyl chains with electron-donating properties are bonded to heterocyclic rings in polycyclic aromatic hydrocarbons, a certain class of molecules is formed. These molecules become protonated in some industries as a result of their intimate contact with the acidic aqueous phase. However, little attention has been paid to the protonation of these molecules. The purpose of this article was to use computational methods to predict and characterize the final protonated states of these molecules. This study considered three distinct types of these molecules. DFT method was used to determine the most likely proton-accepting sites for the molecules, followed by optimization of their protonated...
Design and Fabrication of Inductive High Temperature Superconducting Fault Current Limiter
,
Ph.D. Dissertation
Sharif University of Technology
;
Vakilian, Mehdi
(Supervisor)
;
Fardmanesh, Mehdi
(Supervisor)
Abstract
The continuous rise in electricity demand and the ever growing power generation in different power networks over the world have caused the short circuit level in the power systems to exceed the operational rating of the installed power devices (including cables, circuit breakers and buses). Replacing these devices with new higher rating devices is an expensive solution. From this point of view, utilizing fault current limiters is an economical solution. Superconducting fault current limiters form an efficient category of current limiters. This type is expected to be studied and used widely in future due to their advantages. In this thesis, the first chapter reviews the superconductivity...
Atomistic insight into salinity dependent preferential binding of polar aromatics to calcite/brine interface: implications to low salinity waterflooding
, Article Scientific Reports ; Volume 11, Issue 1 , 2021 ; 20452322 (ISSN) ; Badizad, M. H ; Mahani, H ; Dastjerdi, A. M ; Ayatollahi, S ; Ghazanfari, M. H ; Sharif University of Technology
Nature Research
2021
Abstract
This paper resolve the salinity-dependent interactions of polar components of crude oil at calcite-brine interface in atomic resolution. Molecular dynamics simulations carried out on the present study showed that ordered water monolayers develop immediate to a calcite substrate in contact with a saline solution. Carboxylic compounds, herein represented by benzoic acid (BA), penetrate into those hydration layers and directly linking to the calcite surface. Through a mechanism termed screening effect, development of hydrogen bonding between –COOH functional groups of BA and carbonate groups is inhibited by formation of a positively-charged Na+ layer over CaCO3 surface. Contrary to the common...
Enhancement of THz Radiation from Josephson Junctions in Superconductors Using Electromagnetic Resonators
,
M.Sc. Thesis
Sharif University of Technology
;
Ahmadi Boroujeni, Mehdi
(Supervisor)
;
Fardmanesh, Mehdi
(Supervisor)
Abstract
Terahertz waves which includes frequencies between 100 GHz to 10 THz of electromagnetic spectrum have found many applications in science, medical treatments and industry. One of the recent methods to produce these waves is using nonlinear properties of superconductors based on Josephson junctions which inherently appear in some superconductors called BSCCO. Stack of intrinsic junctions of these superconducting materials can radiate terahertz waves by only applying a DC voltage across them. This Thesis investigates some of these structures based on Josephson junctions to produce coherent radiation of terahertz waves. For the optimization of the radiation power, this study also investigates...
On the Spectrum of Modified Theories of Gravity
, M.Sc. Thesis Sharif University of Technology ; Golshani, Mehdi (Supervisor) ; Sheikh Jabbari, Mohammad Mehdi (Supervisor)
Abstract
There are different approaches in modifications of General Relativity as the theory of gravity. The modified theories of gravity are important cases in this context, which mostly start by modifying the Einstein-Hilbert action, while keeping the general covariance. Within the modified theories of gravity, we consider two cases. The first is the f(R) theories of gravity, and the second is curvature squared theories of gravity with an action like S = ∫d4x pg( 116GR + (R)2 + R2 +(R)2). Curvature squared theories of gravity have interesting feautures, most important of which is renormalizability, in contrast with General Relativity. But this advantage, as noted by K.S. Stelle in 1977 comes at...
Critique and Survey of Various Formulation of Multiverse Theory
, Ph.D. Dissertation Sharif University of Technology ; Golshani, Mehdi (Supervisor) ; Sheikh Jabbari, Mohammad Mehdi (Supervisor)
Abstract
Multiverse scenario has been recently addressed by physicists and they have found it useful in many areas of physics. In this dissertation, I have treated some issues about multiverse such as the kinds of multiverses, the arguments for or against multiverse, areas in which multiverse is introduced, etc. This dissertation has six chapters and an appendix. In the chapter one, some classifications of multiverse is introduced, and also some definitions of the concept of a world is presented. Then, my classification and definition of a multiverse and a world is introduced. In the chapter two, the concept of possible worlds in philosophy and its relationship with multiverse hypothesis is examined....
On Thermodynamics and Phase Space of Near Horizon Extremal Geometries
, Ph.D. Dissertation Sharif University of Technology ; Sheikh-Jabbari, Mohammad Mehdi (Supervisor) ; Golshani, Mehdi (Co-Advisor)
Abstract
Near Horizon Extremal Geometries (NHEG), are geometries which may appear in the near horizon region of the extremal black holes. These geometries have SL(2;R)U(1)n isometry, and constitute a family of solutions to the theory under consideration. In the first part of this report,their thermodynamic properties are reviewed, and their three universal laws are derived. In addition, at the end of the first part, the role of these laws in black hole thermodynamics is presented. In the second part of this thesis, we review building their classical phase space in the Einstein-Hilbert theory. The elements in the NHEG phase space manifold are built by appropriately chosen coordinate transformations of...