Sharif Digital Repository

There are different thermodynamic models that have been applied for modelling of asphaltene precipitation caused by various reasons, such as solvent/CO2 injection and pressure depletion. In this work, two computer codes based on two different asphaltene precipitation thermodynamic models-the first being the thermodynamic micellization model with a different characterization approach and the second being the solid model-have been developed and used for predicting asphaltene precipitation data reported in the literature as well as in the obtained data for Sarvak reservoir crude, which is one of the most potentially problematic Iranian heavy oil reserves under gas injection conditions. For the... 

In this study, polypropylene/carbon nanotube nanocomposites were prepared via in situ polymerization using a bi-supported Ziegler-Natta catalytic system. In this system, magnesium ethoxide and multiwall carbon nanotubes (MWCNTs) are jointly used as catalyst supports. SEM images reveal the distribution and quite good dispersion of MWCNTs throughout the polypropylene (PP) matrix. The thermal properties of the samples were examined using DSC and TGA tests. The results show that the crystallization temperature of the nanocomposites significantly increases while the melting point is not markedly affected. In addition, the thermal stability is improved. The melt rheological properties of PP/MWCNT... 

We study the thermal properties of ultra-narrow silicon nanowires (NW) with diameters from 3 nm to 12 nm. We use the modified valence-force-field method for computation of phononic dispersion and the Boltzmann transport equation for calculation of phonon transport. Phonon dispersion in ultra-narrow 1D structures differs from dispersion in the bulk and dispersion in thicker NWs, which leads to different thermal properties. We show that as the diameter of the NW is reduced the density of long-wavelength phonons per cross section area increases, which increases their relative importance in carrying heat compared with the rest of the phonon spectrum. This effect, together with the fact that... 

Bridgehead C-H bond dissociation enthalpies of 105.7 ± 2.0, 102.9 ± 1.7, and 102.4 ± 1.9 kcal mol -1 for bicyclo[2.2.1]heptane, bicyclo[2.2.2]octane, and adamantane, respectively, were determined in the gas phase by making use of a thermodynamic cycle (i.e., BDE(R-H) = ΔH° acid(H-X) - IE(H •) + EA(X •)). These results are in good accord with high-level G3 theory calculations, and the experimental values along with G3 predictions for bicyclo[1.1.1]pentane, bicyclo[2.1.1]hexane, bicyclo[3.1.1]heptane, and bicyclo[4.2.1]nonane were found to correlate with the flexibility of the ring system. Rare examples of alkyl anions in the gas phase are also provided  

This study presents a comprehensive investigation on hydrodynamic and thermal transport properties of mixed electroosmotically and pressure driven flow in microtubes. Particular emphasis is given to investigating the combined consequences of viscous dissipation, non-uniform Joule heating, and variable thermophysical properties. Analytical solutions are obtained using the Debye-Hückel linearization and constant fluid properties assumption, while a numerical solution is presented for variable fluid properties and non-uniform distribution of Joule heating. The results indicate that, viscous heating effect is pronounced significantly when a favorable pressure gradient exists and cannot be... 

The aim of this study was to investigate the thermal behavior of Mg-doped calcium phosphate compounds. Nanocrystalline HA and β-TCP mixtures containing different magnesium contents were synthesized via an alkoxide sol gel method. The ratio of (Ca+Mg)P was kept constant at 1.67, and the Mg content ranged between 0 and 3 mol%. The influence of magnesium on the phase composition, chemical structure, thermal behavior and morphological characteristics of nanopowders was analyzed using X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FT-IR), Simultaneous Thermogravimetry and Differential Thermal Analysis (STA/DTA), Scanning Electron Microscopy (SEM) and Transmission Electron... 

Petroleum monoaromatics including benzene, toluene, ethylbenzene, and xylenes (BTEX) are among the notorious volatile organic compounds that contaminate water and soil. In this study, a surfactant- modified natural zeolite and its relevant granulated nanozeolites were evaluated as potential adsorbents for removal of petroleum monoaromatics from aqueous solutions. All experiments performed in batch mode at constant temperature of 20°C and pH of 6.8 for 48 h. The results revealed that the amount of BTEX uptake on granulated zeolites nanoparticles were remarkably higher than the parent micron size natural zeolite (in the order of four times). The isotherms data were analyzed using five models... 

There are different thermodynamic models that have been applied for modelling of asphaltene precipitation caused by various reasons, such as solvent/CO2 injection and pressure depletion. In this work, two computer codes based on two different asphaltene precipitation thermodynamic models-the first being the thermodynamic micellization model with a different characterization approach and the second being the solid model-have been developed and used for predicting asphaltene precipitation data reported in the literature as well as in the obtained data for Sarvak reservoir crude, which is one of the most potentially problematic Iranian heavy oil reserves under gas injection conditions. For the... 

A series of superabsorbent composites were synthesized through graft copolymerization of acrylic acid (AA) onto carboxymethyl cellulose (CMC) in the presence of celite powder using N,N'-methylenebisacrylamide (MBA) as a cross-linking agent and ammonium persulphate (APS) as an initiator. The chemical structure and thermal properties of the composite hydrogels were characterized by FTIR spectroscopy and TGA methods, respectively. Morphology of the samples was examined by scanning electron microscopy (SEM). In free-state, the swelling conditions and hence the related data are not real, because in all their applications the swelling particles of superabsorbent must absorb aqueous solutions while... 

The effect of electrostatic interactions on vibrational frequencies and thermodynamic properties of CO adsorbate on the Ni(111) surface is calculated by taking the first and second nearest-neighbour interactions into account. In order to obtain reasonable results, the cluster model of various surface adsorption sites with CO adsorbate is partially optimized, using Density Functional Theory and also the MP2 method for the hcp site. Comparison between DFT and MP2 results shows that DFT results are more reliable for this system. The stretching and bending frequencies of CO adsorbate are calculated using both Partial Hessian Analysis and Cluster-Adsorbate Coupling methods. Stretching and bending... 

Research on the heat transfer in hydrogen-fuelled spark ignition engines indicates that the two most common heat transfer correlations, namely the Annand correlation and the Woschni correlation, cannot perfectly predict the heat flux during the engine cycle. This questions the accuracy of thermodynamic hydrogen engine models because the heat transfer is one of the important submodels in the development of a thermodynamic model. In addition, the Hohenberg correlation and the Shudo-Suzuki correlation have not been evaluated for hydrogen engines. In this study, a thermodynamic model of the closed cycle of a spark ignition engine is developed with a multi-zone combustion submodel to predict the... 

As the use of MEMS-based devices and systems are continuously increasing, the understanding of their correct characteristics becomes so serious for the related researches. In this study, the supersonic rarefied gas flow over microscale hotwires is investigated using the Direct Simulation Monte Carlo (DSMC) method. Indeed, the DSMC has been accepted as a powerful method to study the rarefied gas flow especially in transitional regime. Therefore, it can be considered as a reliable method to investigate the rarefied supersonic flow over microscale objects including the microscale hotwires. In this work, we study the effective parameters, which affect the performance of these sensors at constant... 

In this experimental study the effect of physical and thermal properties of various FRP bars on their performance under elevated temperatures are investigated. The parameters included the bars' diameter, type of fiber, type of resin, fiber to matrix ratio, and thermal properties were studied. Moreover, ANOVA (ANalysis Of VAriance) was performed in order to investigate the contribution of each variable on the obtained results. The results showed that in addition to the temperature, the bars' diameter, type of fiber, type of resin, and thermal properties (Tg and Td) of the FRP bars have contributions to the results, while the fiber to matrix ratio was found to be an ineffective factor. It was... 

In this work, hybrid of silica nanoparticles (NPs) with sulfonated copolymer has been prepared in order to improve the copolymer properties for Enhanced Oil Recovery (EOR). Some tests are done to find the effectiveness of injecting fluid on Recovery Factor (RF), such as Contact Angle (CA), interfacial tension (IFT), inherent viscosity, and eventually Micro-Model (MM) flooding. In CA test, wettability alteration from Oil-Wet (OW) to Water-Wet (WW) is reached by sedimentation and adsorption of NPs on the rock slice. In addition, IFT reduction is obtained by increasing the NaCl concentration. The viscosity change is investigated for the hybrid and copolymer under simulated high-temperature oil... 

Polyurethane (PU) nanocomposites with 0, 1, 3, 5, and 7 wt-% nanoclay contents were prepared. X-ray diffraction patterns, transmission electron microscopy images, tensile test, and thermogravimetric analysis were utilised to reveal the morphological, mechanical, and thermal-resistant properties of the prepared nanocomposites. The exfoliated structure was obtained for nanoclay contents up to 3 wt-%. Incorporation of nanoclay to the PU matrix prompted the thermal stability of the polymer. A nanocomposite filled with 3 wt-% nanoclay showed the best tensile strength in the prepared nanocomposites. Subsequently, the nanocomposite with the 3 wt-% nanoclay was reinforced with carbon and glass... 

In this study, an automotive air conditioning system is simulated by considering HFO-1234yf (2,3,3,3-tetrafluoropropene) as the drop-in replacement of HFC-134a. The simulated air conditioning system consists of a multi-louvered fin and flat-plate type evaporator, a wobble-plate type compressor, a mini-channel parallel-flow type condenser and a thermostatic expansion valve. The thermodynamic properties of the refrigerants are extracted from the REFPROP 8.0 software, and a computer program is simulated for the thermodynamic analysis. Two different conditions have been considered in this program for the cycle analysis: for the first state, the cooling capacity is taken as constant, and for the...