Sharif Digital Repository

This paper summarizes the possibility of carbon dioxide gas Injection and compares the results with natural depletion in one of Iranian under saturated oil reservoir. At first with using PVTi software and Eclipse simulator, slim tube test has been simulated and Minimum Miscibility Pressure (MMP) of carbon dioxide gas with reservoir fluid determined then simulation of CO2 injection had done and at the end assessment of economic conditions for CO2 injection had been considered. Results had shown CO2 is an optimized choice for gas injection in this oil reservoir  

In order to understand the potential role of divalent ions involved in smart water, fluid-fluid and rock-fluid interactions are studied through contact angle and interfacial tension (IFT) measurements. Then, the suitable brines in changing contact angle and IFT are brought into measurement with spontaneous imbibition experiments to evaluate the co-impact of fluid-fluid and rock-fluid interactions. The results show the importance of SO42− ions during smart water injection as removing them from the injection water leads to a sharp drop in ultimate oil recovery. Accordingly, when the concentration of SO42− within the injection water increases four times, 10% ultimate oil recovery is recovered.... 

Interaction between rock-fluid and fluid-fluid can have a significant effect on oil recovery. Changing the wettability of reservoir rock toward more water-wet or less oil-wet state is one of the expected mechanisms during low salinity water injection (LSWI). pH and salinity are of the most eminent factors of injection water controlling the wettability state of a crude oil/brine/rock system during any waterflooding operation. A small change in pH can affect the surface charges at the rock/water and oil/water interfaces leading to wettability alteration in a porous medium. In this study, the synergic effect of salinity and pH on the wettability state of carbonate rocks is evaluated through... 

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... 

In recent years, controlling the salinity and composition of the injected water has become an emerging enhanced oil recovery (EOR) technique, often described as low salinity (LS) waterflooding. This work is done with the intention to contribute to the ongoing discussions about LS waterflooding mechanism(s). For this purpose, a series of different experiments were conducted. At first, the effect of salinity on the interfacial tension (IFT) and the contact angle was evaluated with a crude oil sample. Then to achieve more accurate results in observing oil/water interface, similar IFT experiments were also carried out on a synthetic oil containing asphaltenes. Thereafter, microscopic... 

The FT reaction involves the conversion of syngas which is derived from natural gas or coal to different kinds of products according to the operating conditions and the type of the catalyst. In other words, it is a practical way to convert solid fuel (coal) and natural gas to various hydrocarbons (C1-C60) and oxygenates such as alkanes, alkenes etc. The main products of the reaction are naphtha and gasoline. This paper deals with developing a proper product distribution model for FT process using the appropriate kinetic model, optimizing the respective rate constants while applying them in product distribution equations. The results revealed only 8.09% deviations from the olefin experimental... 

Recently, the visibility graph has been introduced as a novel method for analyzing time series, which maps a time series to a complex network. In this paper we introduce a new algorithm of visibility, "cross-visibility", which reveals the conjugation of two coupled time series. The correspondence between the two time series is mapped to a network, "the cross-visibility graph", to demonstrate the correlation between them. We have applied the algorithm to several correlated and uncorrelated time series, generated by the linear stationary ARFIMA process, in order to better understand the results of the cross-visibility of empirical series. The comparison between the degree distribution of... 

In this study, a comprehensive three-dimensional dynamic model was developed for simulating the flow behavior and catalytic coupling reactions for direct synthesis of dimethyl ether (DME) from syngas including CO2 in a fixed bed reactor at commercial scale under both adiabatic and isothermal conditions. For this purpose, a computational fluid dynamic (CFD) simulation was carried out through which the standard k-e{open} model with 10% turbulence tolerations was implemented. At first, an adiabatic fixed bed reactor was simulated and the obtained results were compared with those of an equivalent commercial slurry reactor. Then the concentration and temperature profiles along the reactor were... 

In this paper, an axial dispersion mathematical model is developed to simulate a three-phase slurry bubble column reactor for direct synthesis of dimethyl ether (DME) from syngas. This large-scale reactor is modeled using mass and energy balances, catalyst sedimentation and single-bubble as well as two-bubbles class flow hydrodynamics. A comparison between the two hydrodynamic models through pilot plant experimental data from the literature shows that heterogeneous two-bubbles flow model is in better agreement with the experimental data than homogeneous single-bubble gas flow model. Also, by investigating the heterogeneous gas flow and axial dispersion model for small bubbles as well as the... 

In the present study, we developed a multi-component one-dimensional mathematical model for simulation and optimisation of a commercial catalytic slurry reactor for the direct synthesis of dimethyl ether (DME) from syngas and CO2, operating in a churn-turbulent regime. DME productivity and CO conversion were optimised by tuning operating conditions, such as superficial gas velocity, catalyst concentration, catalyst mass over molar gas flow rate (W/F), syngas composition, pressure and temperature. Reactor modelling was accomplished utilising mass balance, global kinetic models and heterogeneous hydrodynamics. In the heterogeneous flow regime, gas was distributed into two bubble phases: small... 

In this research, a mathematical model to simulate a two-phase fluidized bed reactor for oxidative dehydrogenation of propane to propylene was developed. The developed model was solved numerically using the matlab software. Moreover, effects of the reaction temperature, operating pressure, feed composition, particle's size and gas superficial velocity on the reactant conversion, product selectivity and desired product's yield were understudied. The model was validated using previously published experimental data for simulation of the case at the exit of the circulating fluidized bed reactor. The results revealed that, as the temperature raised from 783 to 823 K, the propane conversion... 

In this research, a new transient mathematical model based upon tanks-in-series configuration was developed to simulate the direct synthesis of dimethyl ether (DME) from syngas in a commercial-scale slurry bubble column reactor. A comparison between the simulation results and experimental data showed that the applied model might acceptably describe the behavior of the slurry reactor. Furthermore, simulation results in the heterogeneous bubble flow regime indicated that the proposed model with 10 tanks-in-series provided the optimum condition. Utilizing this transient model and considering catalyst deactivation, the effect of operating conditions on DME productivity and CO conversion were... 

In this study, mathematical modeling of fixed-bed plasma reactor operated under isothermal condition was investigated. In this process, methane and acetylene were the inputted feed and ethane, ethylene, propylene, propane, i-butane, and n-butane were the output products. The amount of methane conversion obtained was 12.7% for the former feed, however, if pure methane was inputted this conversion rose to 13.8%. Furthermore, the plasma process enhanced the conversion as well as the selectivity toward the desired product and yield. In the present study, when methane and acetylene were fed at a molar ratio of CH4/C2H2 = 10 to the reactor, the selectivity of C2, C3, and C4 hydrocarbons was... 

In this research, data on liquid-liquid extraction of platinum from commercial spent catalysts by trioctylphosphine oxide (TOPO) in toluene were experimentally obtained. Alkaline metal salts were used to optimize the separation process. Best Salting-out effect was obtained by KCl which extracted up to 90% of platinum utilizing TOPO. Furthermore, extraction percentages of Pt and Al depending upon different factors were investigated. It was observed that the extraction process was kinetically fast and achieving the equilibrium time took less than 30 seconds. Optimized points obtained utilizing response surface methodology (RSM) by the "Design Expert" software in order to minimize the... 

In this article, we report the computational examination of the impact of hydrogen bonding (HB) on the stereoselectivity of a series of Diels-Alder (DA) reactions. Four different types of diene/dienophile couples were studied including (a) cyclopenta-2,4-dien-1-ol and heteroatom-substituted cyclopentenes, (b) substituted cyclopentadienes andN-protonated 2,5-dihydro-1H-pyrrole, (c) furan andN-protonated 5-azabicyclo[2.1.1]hex-2-ene, and (d)N-protonated cyclopenta-2,4-dien-1-amine and α,β-unsaturated carbonyl compounds. These systems were designed such that the HB can only exist in theexoreaction pathway. The optimized structures of the transition states (TSs) and products, along with the... 

Methanol conversion was investigated on dealuminated mordenite (DM) as well as a series of promoted DM (i.e., metal/DM) catalysts prepared by impregnation. Prepared catalysts characterized by the powder XRD, BET, and NH3-TPD techniques. Chemical analysis was performed using induced coupled plasma (ICP) method. The conversion of methanol over different metal/mordenite catalysts was compared at 460C and WHSV of 1 h-1. Several metals including Fe, La, and Ca had been used to prepare metal/DM catalysts, which displayed high selectivity toward propylene production. Ultimately, La/DM catalyst was determined to be the best material amongst those investigated for methanol conversion based upon its... 

A number of HZSM-5 catalysts modified with 5 wt% Mg, Na, Zr, and Al as well as others modified with 5-60 wt% Zn prepared by wet impregnation. These materials were characterized by the NH3-TPD, XRF, and XRD analyses and tested in a slurry reactor to determine their activities in dehydration of methanol solution in kerosene. Reactions were carried out at 230°C and 19 bar for 4 h of residence time in the reactor. Results showed that in the first series, the catalyst modified with Zr and in the second series, the one modified with 10 wt% Zn led to the highest methanol conversion. It was deduced that elimination of strong acid sites and partial replacement of active cations in the HZSM-5 zeolite... 

Modeling and simulation of fixed bed three-phase catalytic reactors are considered for wet air catalytic oxidation of phenol to perform a comparative numerical analysis between tricklebed and packed-bubble column reactors. The modeling involves material balances both for the catalyst particle as well as for different fluid phases. Catalyst deactivation is also considered in a transient reactor model to investigate the effects of various parameters including reactor temperature on catalyst deactivation. The simulation results indicated that packed-bubble columns were slightly superior in performance than trickle beds. It was also found that reaction temperature was the most effective... 

In this research a mathematical model for direct oxidization of hydrogen sulfide into elemental sulfur in a fluidized bed reactor with external circulation was developed. As the catalyst is deactivated in the fluidized bed, it might be placed in a reduction tank in order to remove sulfur through heating above its dew point. The reactor model demonstrated via MATLAB software. It was shown that variations of H 2S conversion as well as; products formed were reasonable in comparison with corresponding results of a fixed bed reactor. Through analyzing results of this model, it became possible to propose the main optimized operating conditions for the process considered. These conditions included;...