Search results for: phase formation in BF-PT system

Authors: Bilge Yaman Islak, Erhan Ayas

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The densification behavior of TiB₂ – Ti₃SiC₂ composites is investigated for temperatures in the range of 1200°C to 1400°C, for the pressure of 40 and 50MPa, and for holding time between 15-30 min by spark plasma sintering (SPS) technique. Ti, Si, TiC and 5 wt.% TiB₂ were used to synthesize TiB₂ – Ti₃SiC₂ composites and the effect of different sintering parameters on the densification and phase evolution of these composites were investigated. The bulk densities were determined by using the Archimedes method. The polished and fractured surfaces of the samples were examined using a scanning electron microscope equipped with an energy dispersive spectroscopy (EDS). The phase analyses were accomplished by using the X-Ray diffractometer. Sintering temperature and holding time are found to play a dominant role in the phase development of composites. TiₓCᵧ and TiSi₂ secondary phases were found in 5 wt.%TiB₂ – Ti₃SiC₂ composites densified at 1200°C and 1400°C under the pressure of 40 MPa, due to decomposition of Ti₃SiC₂. The results indicated that 5 wt.%TiB₂ – Ti₃SiC₂ composites were densified into the dense parts with a relative density of 98.77% by sintering at 1300 °C, for 15 min, under a pressure of 50 MPa via SPS without the formation of any other ancillary phase. This work was funded and supported by Scientific Research Projects Commission of Eskisehir Osmangazi University with the Project Number 201915C103 (2019-2517).

Keywords: densification, phase evolution, sintering, TiB₂ – Ti₃SiC₂ composites

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Authors: Pouyan Motamedi, Ken Bosnick, Ken Cadien, James Hogan

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Growth of conformal ultrathin metal films has attracted a considerable amount of attention recently. Plasma-enhanced atomic layer deposition (PEALD) is a method capable of growing conformal thin films at low temperatures, with an exemplary control over thickness. The authors have recently reported on growth of metastable epitaxial nickel thin films via PEALD, along with a comprehensive characterization of the films and a study on the relationship between the growth parameters and the film characteristics. The goal of the current study is to use the mentioned films as a case study to investigate the temperature-activated phase transformation and agglomeration in ultrathin metallic films. For this purpose, metastable hexagonal nickel thin films were annealed using a controlled heating/cooling apparatus. The transformations in the crystal structure were observed via in-situ synchrotron x-ray diffraction. The samples were annealed to various temperatures in the range of 400-1100° C. The onset and progression of particle formation were studied in-situ via laser measurements. In addition, a four-point probe measurement tool was used to record the changes in the resistivity of the films, which is affected by phase transformation, as well as roughening and agglomeration. Thin films annealed at various temperature steps were then studied via atomic force microscopy, scanning electron microscopy and high-resolution transmission electron microscopy, in order to get a better understanding of the correlated mechanisms, through which phase transformation and particle formation occur. The results indicate that the onset of hcp-to-bcc transformation is at 400°C, while particle formations commences at 590° C. If the annealed films are quenched after transformation, but prior to agglomeration, they show a noticeable drop in resistivity. This can be attributed to the fact that the hcp films are grown epitaxially, and are under severe tensile strain, and annealing leads to relaxation of the mismatch strain. In general, the results shed light on the nature of structural transformation in nickel thin films, as well as metallic thin films, in general.

Keywords: atomic layer deposition, metastable, nickel, phase transformation, thin film

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Authors: Amokrane Boufares, Elise Provost, Veronique Osswald, Pascal Clain, Anthony Delahaye, Laurence Fournaison, Didier Dalmazzone

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Gas hydrates have long been considered as problematic for flow assurance in natural gas and oil transportation. On the other hand, they are now seen as future promising materials for various applications (i.e. desalination of seawater, natural gas and hydrogen storage, gas sequestration, gas combustion separation and cold storage and transport). Nonetheless, a better understanding of the crystallization mechanism of gas hydrate and of their formation kinetics is still needed for a better comprehension and control of the process. To that purpose, measuring the real-time evolution of the dissolved gas concentration in the aqueous phase during hydrate formation is required. In this work, CO₂ hydrates were formed in a stirred reactor equipped with an Attenuated Total Reflection (ATR) probe coupled to a Fourier Transform InfraRed (FTIR) spectroscopy analyzer. A method was first developed to continuously measure in-situ the CO₂ concentration in the liquid phase during solubilization, supersaturation, hydrate crystallization and dissociation steps. Thereafter, the measured concentration data were compared with those of equilibrium concentrations. It was observed that the equilibrium is instantly reached in the liquid phase due to the fast consumption of dissolved gas by the hydrate crystallization. Consequently, it was shown that hydrate crystallization kinetics is limited by the gas transfer at the gas-liquid interface. Finally, we noticed that the liquid-hydrate equilibrium during the hydrate crystallization is governed by the temperature of the experiment under the tested conditions.

Keywords: gas hydrate, dissolved gas, crystallization, infrared spectroscopy

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Authors: Duanlei Yuan, Guangchao Yan, Zhanqing Chen, Xian Cheng

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This paper mainly focuses on the problem that high voltage circuit breaker’s closing and opening operation at random phase brings harmful electromagnetic transient effects on the power system. To repress the negative transient effects, a 35 kV SF6 phase-control circuit breaker equipped with electromagnetic force driving actuator is designed in this paper. Based on the constructed mathematical and structural models, the static magnetic field distribution and dynamic properties of the under loading actuator are simulated. The prototype of 35 kV SF6 phase-control circuit breaker is developed based on theories analysis and simulation. Tests are carried on to verify the operating reliability of the prototype. The developed circuit breaker can control its operating speed intelligently and switches with phase selection. Results of the tests and simulation prove that the phase-control circuit breaker is feasible for industrial applications.

Keywords: phase-control, circuit breaker, electromagnetic force driving actuator, tests and simulation

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Authors: Askar Kilmametov, Julia Ivanisenko, Boris Straumal, Horst Hahn

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The high-pressure α- to ω-phase transition was discovered in elemental Ti and Zr fifty years ago using static high pressure and then observed to appear between 2 and 12 GPa at room temperature, depending on the experimental technique, the pressure environment, and the sample purity. The fact that ω-phase is retained in a metastable state in ambient condition after the removal of the pressure has been used to check the changes in magnetic and superconductive behavior, electron band structure and mechanical properties. However, the fundamental knowledge on a combination of both mechanical treatment and high applied pressure treatments for ω-phase formation in Ti alloys is currently lacking and has to be studied in relation to improved mechanical properties of bulk nanostructured states. In the present study, nanostructured (α+β) Ti alloys containing β-stabilizing elements such as Co, Fe, Cr, Nb were performed by severe plastic deformation, namely high pressure torsion (HPT) technique. HPT-induced α- to ω-phase transformation was revealed in dependence on applied pressure and shear strains by means of X-ray diffraction, transmission electron microscopy, and differential scanning calorimetry. The transformation kinetics was compared with the kinetics of pressure-induced transition. Orientation relationship between α-, β- and ω-phases was taken into consideration and analyzed according to theoretical calculation proposed earlier. The influence of initial state before HPT appeared to be considerable for subsequent α- to ω-phase transition. Thermal stability of the HPT-induced ω-phase was discussed as well in the frame of mechanical behavior of Ti and Ti-based alloys produced by shear deformation under high applied pressure.

Keywords: bulk nanostructured materials, high pressure phase transitions, severe plastic deformation, titanium alloys

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Authors: Chargui Ridha, Agrebi Sameh

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The integration of phase change materials (PCM) for the storage of thermal energy during the period of sunshine before being released during the night is a complement of free energy to improve the system formed by a solar collector, tank storage, and a heat exchanger. This paper is dedicated to the design of a thermal storage tank based on a PCM-based heat exchanger. The work is divided into two parts: an experimental part using paraffin as PCM was carried out within the Laboratory of Thermal Processes of Borj Cedria in order to improve the performance of the system formed by the coupling of a flat solar collector and a thermal storage tank and to subsequently determine the influence of PCM on the whole system. This phase is based on the measurement instrumentation, namely, a differential scanning calorimeter (DSC) and the thermal analyzer (hot disk: HOT DISK) in order to determine the physical properties of the paraffin (PCM), which has been chosen. The second phase involves the detailed design of the PCM heat exchanger, which is incorporated into a thermal storage tank and coupled with a solar air collector installed at the Research and Technology Centre of Energy (CRTEn). A numerical part based on the TRANSYS and Fluent software, as well as the finite volume method, was carried out for the storage reservoir systems in order to determine the temperature distribution in each chosen system.

Keywords: phase change materials, storage tank, heat exchanger, flat plate collector

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Authors: Hyeon-Seung Kim, Sang-Mi Park, Min-Seo Kim, Jong-Myeung Shin, Leen-Seok Kang

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Recently, the use of Building Information Modeling (BIM) in public construction works has become mandatory in some countries and it is anticipated that BIM will be applied to the actual field of civil engineering projects. However, the BIM system is still focused on the architectural project and the design phase. Because the civil engineering project is linear type project and is focused on the construction phase comparing with architectural project, 3D simulation is difficult to visualize them. This study suggests a method and a prototype system to solve workspace conflictions among construction activities using BIM simulation tool.

Keywords: BIM, workspace, confliction, visualization

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Authors: Nauman Idrees

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Modeling and simulation during the conceptual design phase are the most effective means of system testing resulting in time and cost savings as compared to the testing of hardware prototypes, which are mostly not available during the conceptual design phase. This paper uses the model-based design (MBD) method in designing the fly-by-wire flight controls system of a fighter aircraft using Simulink. The process begins with system definition and layout where modeling requirements and system components were identified, followed by hierarchical system layout to identify the sequence of operation and interfaces of system with external environment as well as the internal interface between the components. In the second step, each component within the system architecture was modeled along with its physical and functional behavior. Finally, all modeled components were combined to form the fly-by-wire flight controls system of a fighter aircraft as per system architecture developed. The system model developed using this method can be simulated using any simulation software to ensure that desired requirements are met even without the development of a physical prototype resulting in time and cost savings.

Keywords: fly-by-wire, flight controls system, model based design, Simulink

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Authors: K. A. Kemelov, Z. K. Maymekov, D. A. Sambaeva, W. Frenzel

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Benzo(a)pyrene is widespread carcinogenic and mutagenic environmental pollutant, which is formed in combustion processes of carbonaceous materials at high temperature and still health safety problem related benz(a)pyrene continues to remain actual. At the moment the mechanisms of formation of benzo(a)pyrene are not studied in detail, there is not concrete certain full scheme of synthesis of benzo(a)pyrene. Studies in this area are mainly dedicated to development of measuring tools and chemical reactions analyzes, or to obtain specific evidence of a large group of polycyclic aromatic hydrocarbons (PAHs). Consequently in this study we try to create physical and chemical model of oxidation and thermo destruction processes of benzo(a)pyrene, using critical thermodynamical parameters in order to estimate theoretical derivatives of benzo(a)pyrene and which conditions benzo(a)pyrene degraded into more harmful substances. According to this physical and chemical modeling of thermal destruction process of benzo(a)pyrene in wide ranges of change of temperature value were calculated. C20H12 - H2O-O2 system was taken for modeling of thermal destruction process of benzo(a)pyrene in order to establish distribution range of equilibrium structures and concentrations of molecules in a gas phase. Also technological ways of reduction of concentration of benzo(a)pyrene in a gas phase were supposed.

Keywords: benzo(a)pyrene, emission, PAH, thermodynamic parameters

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Authors: Caroline Rocco, Feyza Karasu, Céline Croutxé-Barghorn, Xavier Allonas, Maxime Lecompère, Gérard Riess, Yujing Zhang, Catarina Esteves, Leendert van der Ven, Rolf van Benthem Gijsbertus de With

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Acrylates are widely used in UV-curing technology. Their high reactivity can, however, limit their conversion due to early vitrification. In addition, the free radical photopolymerization is known to be sensitive to oxygen inhibition leading to tacky surfaces. Although epoxides can lead to full polymerization, they are sensitive to humidity and exhibit low polymerization rate. To overcome the intrinsic limitations of both classes of monomers, Interpenetrating Polymer Networks (IPNs) can be synthesized. They consist of at least two cross linked polymers which are permanently entangled. They can be achieved under thermal and/or light induced polymerization in one or two steps approach. IPNs can display homogeneous to heterogeneous morphologies with various degrees of phase separation strongly linked to the monomer miscibility and also synthesis parameters. In this presentation, we synthesize UV-cured methacrylate - epoxide based IPNs with different chemical compositions in order to get a better understanding of their formation and phase separation. Miscibility before and during the photopolymerization, reaction kinetics, as well as mechanical properties and morphology have been investigated. The key parameters controlling the morphology and the phase separation, namely monomer miscibility and synthesis parameters have been identified. By monitoring the stiffness changes on the film surface, atomic force acoustic microscopy (AFAM) gave, in conjunction with polymerization kinetic profiles and thermomechanical properties, explanations and corroborated the miscibility predictions. When varying the methacrylate / epoxide ratio, it was possible to move from a miscible and highly-interpenetrated IPN to a totally immiscible and phase-separated one.

Keywords: investigation of properties and morphology, kinetics, phase separation, UV-cured IPNs

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Authors: Khaled Nagaty, Heba Nagaty, Gerard McKee

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A signature is a behavioral biometric that is used for authenticating users in most financial and legal transactions. Signatures can be easily forged by skilled forgers. Therefore, it is essential to verify whether a signature is genuine or forged. The aim of any signature verification algorithm is to accommodate the differences between signatures of the same person and increase the ability to discriminate between signatures of different persons. This work presented in this paper proposes an automatic signature verification system to indicate whether a signature is genuine or not. The system comprises four phases: (1) The pre-processing phase in which image scaling, binarization, image rotation, dilation, thinning, and connecting ridge breaks are applied. (2) The feature extraction phase in which global and local features are extracted. The local features are minutiae points, curvature orientation, and curve plateau. The global features are signature area, signature aspect ratio, and Hu moments. (3) The post-processing phase, in which false minutiae are removed. (4) The classification phase in which features are enhanced before feeding it into the classifier. k-nearest neighbors and support vector machines are used. The classifier was trained on a benchmark dataset to compare the performance of the proposed offline signature verification system against the state-of-the-art. The accuracy of the proposed system is 92.3%.

Keywords: signature, ridge breaks, minutiae, orientation

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Authors: Liliana Patricia Olivo Arias

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The present study focused on the hydrodynamic study in a three-phase fluidized bed reactor and the influence of important aspects, such as volume fractions (Hold up), velocity magnitude of gas, liquid and solid phases (hydrogen, gasoil, and gamma alumina), interactions of phases, through of drag models with the k-epsilon turbulence model. For this purpose was employed a Euler-Euler model and also considers the system is constituted of three phases, gaseous, liquid and solid, characterized by its physical and thermal properties, the transport processes that are developed within the transient regime. The proposed model of the three-phase fluidized bed reactor was solved numerically using the ANSYS-Fluent software with different mesh refinements on bed expansion zone in order to observe the influence of the hydrodynamic parameters and convergence criteria. With this model and the numerical simulations obtained for its resolution, it was possible to predict the results of the volume fractions (Hold ups) and the velocity magnitude for an unsteady system from the initial and boundaries conditions were established.

Keywords: three-phase fluidized bed system, CFD simulation, mesh dependency study, hydrodynamic study

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Authors: Mojtaba Heydarizad

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Andarokh basin is one of the main karstic regions in Khorasan Razavi province NE Iran. This basin is part of Kopeh-Dagh mega zone extending from Caspian Sea in the east to northern Afghanistan in the west. This basin is covered by Mozdooran Formation, Ngr evaporative formation and quaternary alluvium deposits in descending order of age. Mozdooran carbonate formation is notably karstified. The main surface karstic features in Mozdooran formation are Groove karren, Cleft karren, Rain pit, Rill karren, Tritt karren, Kamintza, Domes, and Table karren. In addition to surface features, deep karstic feature Andarokh Cave also exists in the region. Studying Ca, Mg, Mn, Sr, Fe concentration and Sr/Mn ratio in Mozdooran formation samples with distance to main faults and joints system using PCA analyses demonstrates intense meteoric digenesis role in controlling carbonate rock geochemistry. The karst evaluation in Andarokh basin varies from early stages 'deep seated karst' in Mesozoic to mature karstic system 'Exhumed karst' in quaternary period. Andarokh cave (the main cave in Andarokh basin) is rudimentary branch work consists of three passages of A, B and C and two entrances Andarokh and Sky.

Keywords: Andarokh basin, Andarokh cave, geochemical analyses, karst evaluation

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Authors: Tijing Cai, Qimeng Xu, Daijin Zhou

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This paper puts forward a short-baseline dual-antenna BDS/MEMS-IMU integrated navigation, constructs the carrier phase double difference model of BDS (BeiDou Navigation Satellite System), and presents a 2-position initial orientation method on BDS. The Extended Kalman-filter has been introduced for the integrated navigation system. The differences between MEMS-IMU and BDS position, velocity and carrier phase indications are used as measurements. To show the performance of the short-baseline dual-antenna BDS/MEMS-IMU integrated navigation system, the experiment results show that the position error is less than 1m, the pitch angle error and roll angle error are less than 0.1°, and the heading angle error is about 1°.

Keywords: MEMS-IMU (Micro-Electro-Mechanical System Inertial Measurement Unit), BDS (BeiDou Navigation Satellite System), dual-antenna, integrated navigation

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Authors: Zihua Wu, Yueming He, Xiaoxiao Yu, Yuanyuan Wang, Huaqing Xie

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The match of Solar thermoelectric generator (STEG) and phase change materials (PCM) can enhance the solar energy storage and reduce environmental impact from the day-and-night transformation and weather changes. This work utilizes D-mannitol (DM) matrix as the suitable PCM for coupling with thermoelectric generator to achieve the middle-temperature solar energy storage performance at 165℃-167℃. DM/MWCNT composite phase change materials prepared by ball milling not only can keep a high phase change enthalpy of DM material but also have great photo-thermal conversion efficiency of 82%. Based on the self-made storage device container, the effect of PCM thickness on the solar energy storage performance is further discussed and analyzed. The experimental results prove that PCM-STEG coupling system can output more electric energy than pure STEG system because PCM can decline the heat transfer and storage thermal energy to further generate the electric energy through thermal-to-electric conversion when the light is removed. The increase of PCM thickness can reduce the heat transfer and enhance thermal storage, and then the power generation performance of PCM-STEG coupling system can be improved. As the increase of light intensity, the output electric energy of the coupling system rises accordingly, and the maximum amount of electrical energy can reach by 113.85 J at 1.6 W/cm2. The study of the PCM-STEG coupling system has certain reference for the development of solar energy storage and application.

Keywords: solar energy, solar thermoelectric generator, phase change materials, solar-to-electric energy, DM/MWCNT

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Authors: Mohammad Nazififard, Reihane Faghihi

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This paper is aimed at understanding convective heat transfer of enclosed phase change material (PCM) in the solar and low-temperature hot water radiant floor heating geometry. In order to obtain the best performance of PCM, a radiant heating structure of the energy storage floor is designed which places heat pipes in the enclosed phase change material (PCM) layer, without concrete in it. The governing equations are numerically solved. The PCM thermal storage time is considered in relation to the floor surface temperature under different hot water temperatures. Moreover the PCM thermal storage time is numerically estimated under different supply water temperatures and flow rate. Results show the PCM floor heating system has a potential of making use of the daytime solar energy for heating at night efficiently.

Keywords: solar floor, heating system, phase change material, computational fluid dynamics

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Authors: Ramin Dabirian, Yi Zhang, Ilias Gavrielatos, Ram Mohan, Ovadia Shoham

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Oil-water emulsions can be found in almost every part of the petroleum industry, namely in reservoir rocks, drilling cuttings circulation, production in wells, transportation pipelines, surface facilities and refining process. However, it is necessary for oil production and refinery engineers to resolve the petroleum emulsion problems as well as to eliminate the contaminants in order to meet environmental standards, achieve the desired product quality and to improve equipment reliability and efficiency. A state-of-art Dispersion Characterization Rig (DCR) has been utilized to investigate crude oil-distilled water dispersion separation. Over 80 experimental tests were ran to investigate the flow behavior and stability of the dispersions. The experimental conditions include the effects of water cuts (25%, 50% and 75%), NaCl concentrations (0, 3.5% and 18%), mixture flow velocities (0.89 and 1.71 ft/s), and also orifice place types on the separation rate. The experimental data demonstrate that the water cut can significantly affects the separation time and efficiency. The dispersion with lower water cut takes longer time to separate and have low separation efficiency. The medium and lower water cuts will result in the formation of Mousse emulsion and the phase inversion happens around the medium water cut. The data also confirm that increasing the NaCl concentration in aqueous phase can increase the crude oil water dispersion separation efficiency especially at higher salinities. The separation profile for dispersions with lower salt concentrations has a lower sedimentation rate slope before the inflection point. Dispersions in all tests with higher salt concentrations have a larger sedimenting rate. The presence of NaCl can influence the interfacial tension gradients along the interface and it plays a role in avoiding the Mousse emulsion formation.

Keywords: oil-water dispersion, separation mechanism, phase inversion, emulsion formation

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Authors: Olga Tkacheva, Pavel Arkhipov, Alexey Rudenko, Yurii Zaikov

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The aluminum electrolysis process in the conventional cryolite-alumina electrolyte with cryolite ratio of 2.7 was carried out at an initial temperature of 970 °C and the anode current density of 0.5 A/cm² in a 15A lab-scale cell in order to study the formation of the side ledge during electrolysis and the alumina distribution between electrolyte and side ledge. The alumina contained 35.97% α-phase and 64.03% γ-phase with the particles size in the range of 10-120 μm. The cryolite ratio and the alumina concentration were determined in molten electrolyte during electrolysis and in frozen bath after electrolysis. The side ledge in the electrolysis cell was formed only by the 13^th hour of electrolysis. With a slight temperature decrease a significant increase in the side ledge thickness was observed. The basic components of the side ledge obtained by the XRD phase analysis were Na₃AlF₆, Na₅Al₃F₁₄, Al₂O₃, and NaF^.5CaF₂^.AlF₃. As in the industrial cell, the increased alumina concentration in the side ledge formed on the cell walls and at the ledge-electrolyte-aluminum three-phase boundary during aluminum electrolysis in the lab cell was found (FTP No 05.604.21.0239, IN RFMEFI60419X0239).

Keywords: alumina distribution, aluminum electrolyzer, cryolie-alumina electrolyte, side ledge

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Authors: Mohammad Sadegh Narges, Zahra Ghadampour

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Due to the specific condition, offshore pipelines are given careful consideration and care in both design and operation. Most of the offshore pipeline flows are multi-phase. Multi-phase flows construct different pattern or flow regimes (in simultaneous gas-liquid flow, flow regimes like slug flow, wave and …) under different circumstances. One of the influencing factors on the flow regime is the pipeline roughness value. So far, roughness value influences and the sensitivity of the present models to this parameter have not been taken into consideration. Therefore, roughness value influences on the flow regimes in offshore pipelines are discussed in this paper. Results showed that geometry, absolute pipeline roughness value (materials that the pipeline is made of) and flow phases prevailing the system are of the influential parameters on the flow regimes prevailing multi-phase pipelines in a way that a change in any of these parameters results in a change in flow regimes in all or part of the pipeline system.

Keywords: absolute roughness, flow regime, multi-phase flow, offshore pipelines

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Authors: Yong Ren, Yaping Zhang

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A numerical model has been developed to investigate the thermally triggered release kinetics for drug delivery using phase change material as shell of microcapsules. Biocompatible material n-Eicosane is used as demonstration. PCM shell of microcapsule will remain in solid form after the drug is taken, so the drug will be encapsulated by the shell, and will not be released until the target body part of lesion is exposed to external heat source, which will thermally trigger the release kinetics, leading to solid-to-liquid phase change. The findings can lead to better understanding on the key effects influencing the phase change process for drug delivery applications. The facile approach to release drug from core/shell structure of microcapsule can be well integrated with organic solvent free fabrication of microcapsules, using double emulsion as template in microfluidic aqueous two phase system.

Keywords: phase change material, drug release kinetics, double emulsion, microfluidics

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Authors: N. H. Adenan, M. S. M. Noorani

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River flow prediction is an essential to ensure proper management of water resources can be optimally distribute water to consumers. This study presents an analysis and prediction by using nonlinear prediction method involving monthly river flow data in Tanjung Tualang from 1976 to 2006. Nonlinear prediction method involves the reconstruction of phase space and local linear approximation approach. The phase space reconstruction involves the reconstruction of one-dimensional (the observed 287 months of data) in a multidimensional phase space to reveal the dynamics of the system. Revenue of phase space reconstruction is used to predict the next 72 months. A comparison of prediction performance based on correlation coefficient (CC) and root mean square error (RMSE) have been employed to compare prediction performance for nonlinear prediction method, ARIMA and SVM. Prediction performance comparisons show the prediction results using nonlinear prediction method is better than ARIMA and SVM. Therefore, the result of this study could be used to developed an efficient water management system to optimize the allocation water resources.

Keywords: river flow, nonlinear prediction method, phase space, local linear approximation

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Authors: Seyedeh Narjes Hosseini, Mohammad Hossein Enayati, Fathallah Karimzadeh, Nigel Mark Sammes

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The synthesis of CuFe2O4 spinel powders by an optimized combustion-like process followed by calcinations is described herein. The samples were characterized by X-ray diffraction (XRD), differential thermal analysis (TG/DTA), scanning electron microscopy (SEM), dilatometry and 4-probe DC methods. Different glycine to nitrate (G/N) ratios of 1 (fuel-deficient), 1.48 (stoichiometric) and 2 (fuel-rich) were employed. Calcining the as-prepared powders at 800 and 1000°C for 5 hours showed that the 2 ratio results in the formation of desired copper spinel single phase at both calcinations temperatures. For G/N=1, formation of CuFe2O4 takes place in three steps. First, iron and copper nitrates decomposes to iron oxide and pure copper. Then, copper transforms to copper oxide and finally, copper and iron oxides react to each other to form copper ferrite spinel phase. The electrical conductivity and the coefficient of thermal expansion of the sintered pelletized samples were obtained 2 S.cm-1 (800°C) and 11×10-6 °C-1 (25-800°C), respectively.

Keywords: SOFC interconnect coatings, Copper ferrite, Spinels, electrical conductivity, Glycine–nitrate process

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Authors: Akshita Jindal, Renu Chadha, Maninder Karan

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Supramolecular chemistry has gained recent eminence in a flurry of research documents demonstrating the formation of new crystalline forms with potentially advantageous characteristics. Mesalamine (5-amino salicylic acid) belongs to anti-inflammatory class of drugs, is used to treat ulcerative colitis and Crohn’s disease. Unfortunately, mesalamine suffer from poor solubility and therefore very low bioavailability. This work is focused on preparation and characterization of cocrystal of mesalamine with nicotinamide (MNIC) a coformer of GRAS status. Cocrystallisation was achieved by solvent drop grinding in stoichiometric ratio of 1:1 using acetonitrile as solvent and was characterized by various techniques including DSC (Differential Scanning Calorimetry), PXRD (X-ray Powder Diffraction), and FTIR (Fourier Transform Infrared Spectrometer). The co-crystal depicted single endothermic transitions (254°C) which were different from the melting peaks of both drug (288°C) and coformer (128°C) indicating the formation of a new solid phase. Different XRPD patterns and FTIR spectrums for the co-crystals from those of individual components confirms the formation of new phase. Enhancement in apparent solubility study and intrinsic dissolution study showed effectiveness of this cocrystal. Further improvement in pharmacokinetic profile has also been observed with 2 folds increase in bioavailability. To conclude, our results show that application of nicotinamide as a coformer is a viable approach towards the preparation of cocrystals of potential drug molecule having limited solubility.

Keywords: cocrystal, mesalamine, nicotinamide, solvent drop grinding

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Authors: K. Mehmood, Muhammad Asif Rafiq, A. Nasir Khan, M. Mudassar Rauf

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Air plasma spraying system was utilized to deposit Ni3Al coatings on AISI 321 steel samples. After thermal spraying, the nickel aluminide intermetallic coatings were isothermal heat treated at various temperatures. In this regard, temperatures from 500 °C to 800 °C with 100 °C increments were selected. The coatings were soaked for 10, 30, 60 and 100 hours at the mentioned temperatures. These coatings were then tested by a pin on disk method. It was observed that the coatings exposed at comparatively higher temperature experienced lower wear rate. The decrease in wear rate is due to the formation of NiO phase. Further, the as sprayed and heat treated coatings were characterized by other tools such as Microhardness testing, optical and scanning electron microscopy (SEM) and X-Ray diffraction analysis. After isothermal heat treatment, NiO was observed the main phase by X-Ray diffraction technique. Moreover, the surface hardness was also determined higher than cross sectional hardness.

Keywords: air plasma spraying, Ni -20Al, tribometer, intermetallic coating, nickel aluminide

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Authors: Raza Abdulla Saeed

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In this study, the three-dimensional cavitating turbulent flow in a complete Francis turbine is simulated using mixture model for cavity/liquid two-phase flows. Numerical analysis is carried out using ANSYS CFX software release 12, and standard k-ε turbulence model is adopted for this analysis. The computational fluid domain consist of spiral casing, stay vanes, guide vanes, runner and draft tube. The computational domain is discretized with a three-dimensional mesh system of unstructured tetrahedron mesh. The finite volume method (FVM) is used to solve the governing equations of the mixture model. Results of cavitation on the runner’s blades under three different boundary conditions are presented and discussed. From the numerical results it has been found that the numerical method was successfully applied to simulate the cavitating two-phase turbulent flow through a Francis turbine, and also cavitation is clearly predicted in the form of water vapor formation inside the turbine. By comparison the numerical prediction results with a real runner; it’s shown that the region of higher volume fraction obtained by simulation is consistent with the region of runner cavitation damage.

Keywords: computational fluid dynamics, hydraulic francis turbine, numerical simulation, two-phase mixture cavitation model

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Authors: Kurudzirayi Robson Musikavanhu

Abstract:

Nanophase particles exhibit quantum behavior by virtue of their small size, being particles of gamma to x-ray wavelength [atomic range]. Such particles exhibit high frequencies, high energy/photon, high penetration power, high ionization power [atomic behavior] and are stable at low energy levels as opposed to bulk phase matter [macro particles] which exhibit higher wavelength [radio wave end] properties, hence lower frequency, lower energy/photon, lower penetration power, lower ionizing power and are less stable at low temperatures. The ‘unique’ behavioral motion of Nano systems will remain a mystery as long as quantum theory remains a mystery, and for pharmacology, pharmacovigilance profiling of Nano systems becomes virtually impossible. Quantum theory is the 4 – 3 – 5 electromagnetic law of life and life motion systems on planet earth. Electromagnetic [wave-particle] properties of all particulate matter changes as mass [bulkiness] changes from one phase to the next [Nano-phase to micro-phase to milli-phase to meter-phase to kilometer phase etc.] and the subsequent electromagnetic effect of one phase particle on bulk matter [different phase] changes from one phase to another. All matter exhibit electromagnetic properties [wave-particle duality] in behavior and the lower the wavelength [and the lesser the bulkiness] the higher the gamma ray end properties exhibited and the higher the wavelength [and the greater the bulkiness], the more the radio-wave end properties are exhibited. Quantum theory is the 4 [moon] – 3[sun] – [earth] 5 law of the Electromagnetic spectrum [solar system]. 4 + 3 = 7; 4 + 3 + 5 = 12; 4 * 3 * 5 = 60; 42 + 32 = 52; 43 + 33 + 53 = 63. Quantum age is overdue.

Keywords: electromagnetic solar system, nano-material, nano pharmacology, pharmacovigilance, quantum theory

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Authors: Amal Ait El Djoudi

Abstract:

A thermodynamical model of coexisting hadronic and quark–gluon plasma (QGP) phases is used to study the thermally driven deconfining phase transition occurring between the two phases. A color singlet partition function is calculated for the QGP phase with two massless quarks, as in our previous work, but now the finite extensions of the hadrons are taken into account in the equation of state of the hadronic phase. In the present work, the finite-size effects on the system are examined by probing the behavior of some thermodynamic quantities, called response functions, as order parameter, energy density and their derivatives, on a range of temperature around the transition at different volumes. It turns out that the finiteness of the system size has as effects the rounding of the transition and the smearing of all the singularities occurring in the thermodynamic limit, and the additional finite-size effect introduced by the requirement of exact color-singletness involves a shift of the transition point. This shift as well as the smearing of the transition region and the maxima of both susceptibility and specific heat show a scaling behavior with the volume characterized by scaling exponents. Another striking result is the large similarity noted between the behavior of these response functions and that of the cumulants of the probability density. This similarity is worked to try to extract information concerning the occurring phase transition.

Keywords: equation of state, thermodynamics, deconfining phase transition, quark–gluon plasma (QGP)

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Authors: Carlos Alberto Ríos-Reyes, Efraín Casadiego-Quintero

Abstract:

We propose a generalized workflow for mineralogy investigation of unconventional reservoirs using multi-scale imaging and pore-scale analyses. This workflow can be used for the integral evaluation of these resources. The Cretaceous La Luna Formation´s mudstones in the Middle Magdalena Valley Basin (Colombia) inherently show a heterogeneous pore system with organic and inorganic pores. For this reason, it is necessary to carry out the integration of high resolution 2D images of mapping by conventional petrography, scanning electron microscopy and quantitative evaluation of minerals by scanning electron microscopy to describe their organic and inorganic porosity to understand the transport mechanism through pores. The analyzed rocks show several pore types, including interparticle pores, organoporosity, intraparticle pores, intraparticle pores, and microchannels and/or microfractures. The existence of interconnected pores in pore system of these rocks promotes effective pathways for primary gas migration and storage space for residual hydrocarbons in mudstones, which is very useful in this type of gas reservoirs. It is crucial to understand not only the porous system of these rocks and their mineralogy but also to project the gas flow in order to design the appropriate strategies for the stimulation of unconventional reservoirs. Keywords: mudstones; La Luna Formation; gas storage; migration; hydrocarbon.

Keywords: mudstones, La luna formation, gas storage, migration, hydrocarbon

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Authors: Regina A. Tayong, Reza Barati

Abstract:

A stable, fast and robust three-phase, 2D IMPES simulator has been developed for assessing the influence of; breaker concentration on yield stress of filter cake and broken gel viscosity, varying polymer concentration/yield stress along the fracture face, fracture conductivity, fracture length, capillary pressure changes and formation damage on fracturing fluid cleanup in tight gas reservoirs. This model has been validated as against field data reported in the literature for the same reservoir. A 2-D, two-phase (gas/water) fracture propagation model is used to model our invasion zone and create the initial conditions for our clean-up model by distributing 200 bbls of water around the fracture. A 2-D, three-phase IMPES simulator, incorporating a yield-power-law-rheology has been developed in MATLAB to characterize fluid flow through a hydraulically fractured grid. The variation in polymer concentration along the fracture is computed from a material balance equation relating the initial polymer concentration to total volume of injected fluid and fracture volume. All governing equations and the methods employed have been adequately reported to permit easy replication of results. The effect of increasing capillary pressure in the formation simulated in this study resulted in a 10.4% decrease in cumulative production after 100 days of fluid recovery. Increasing the breaker concentration from 5-15 gal/Mgal on the yield stress and fluid viscosity of a 200 lb/Mgal guar fluid resulted in a 10.83% increase in cumulative gas production. For tight gas formations (k=0.05 md), fluid recovery increases with increasing shut-in time, increasing fracture conductivity and fracture length, irrespective of the yield stress of the fracturing fluid. Mechanical induced formation damage combined with hydraulic damage tends to be the most significant. Several correlations have been developed relating pressure distribution and polymer concentration to distance along the fracture face and average polymer concentration variation with injection time. The gradient in yield stress distribution along the fracture face becomes steeper with increasing polymer concentration. The rate at which the yield stress (τ_o) is increasing is found to be proportional to the square of the volume of fluid lost to the formation. Finally, an improvement on previous results was achieved through simulating yield stress variation along the fracture face rather than assuming constant values because fluid loss to the formation and the polymer concentration distribution along the fracture face decreases as we move away from the injection well. The novelty of this three-phase flow model lies in its ability to (i) Simulate yield stress variation with fluid loss volume along the fracture face for different initial guar concentrations. (ii) Simulate increasing breaker activity on yield stress and broken gel viscosity and the effect of (i) and (ii) on cumulative gas production within reasonable computational time.

Keywords: formation damage, hydraulic fracturing, polymer cleanup, multiphase flow numerical simulation

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Authors: Mohamad Saab, Florent Real, Francois Virot, Laurent Cantrel, Valerie Vallet

Abstract:

All spent nuclear fuel reprocessing plants use the PUREX process (Plutonium Uranium Refining by Extraction), which is a liquid-liquid extraction method. The organic extracting solvent is a mixture of tri-n-butyl phosphate (TBP) and hydrocarbon solvent such as hydrogenated tetra-propylene (TPH). By chemical complexation, uranium and plutonium (from spent fuel dissolved in nitric acid solution), are separated from fission products and minor actinides. During a normal extraction operation, uranium is extracted in the organic phase as the UO₂(NO₃)₂(TBP)₂ complex. The TBP solvent can form an explosive mixture called red oil when it comes in contact with nitric acid. The formation of this unstable organic phase originates from the reaction between TBP and its degradation products on the one hand, and nitric acid, its derivatives and heavy metal nitrate complexes on the other hand. The decomposition of the red oil can lead to violent explosive thermal runaway. These hazards are at the origin of several accidents such as the two in the United States in 1953 and 1975 (Savannah River) and, more recently, the one in Russia in 1993 (Tomsk). This raises the question of the exothermicity of reactions that involve TBP and all other degradation products, and calls for a better knowledge of the underlying chemical phenomena. A simulation tool (Alambic) is currently being developed at IRSN that integrates thermal and kinetic functions related to the deterioration of uranyl nitrates in organic and aqueous phases, but not of the n-butyl phosphate. To include them in the modeling scheme, there is an urgent need to obtain the thermodynamic and kinetic functions governing the deterioration processes in liquid phase. However, little is known about the thermodynamic properties, like standard enthalpies of formation, of the n-butyl phosphate molecules and of the UO₂(NO₃)₂(TBP)₂ UO₂(NO₃)₂(HDBP)(TBP) and UO₂(NO₃)₂(HDBP)₂ complexes. In this work, we propose to estimate the thermodynamic properties with Quantum Methods (QM). Thus, in the first part of our project, we focused on the mono, di, and tri-butyl complexes. Quantum chemical calculations have been performed to study several reactions leading to the formation of mono-(H₂MBP), di-(HDBP), and TBP in gas and liquid phases. In the gas phase, the optimal structures of all species were optimized using the B3LYP density functional. Triple-ζ def2-TZVP basis sets were used for all atoms. All geometries were optimized in the gas-phase, and the corresponding harmonic frequencies were used without scaling to compute the vibrational partition functions at 298.15 K and 0.1 Mpa. Accurate single point energies were calculated using the efficient localized LCCSD(T) method to the complete basis set limit. Whenever species in the liquid phase are considered, solvent effects are included with the COSMO-RS continuum model. The standard enthalpies of formation of TBP, HDBP, and H2MBP are finally predicted with an uncertainty of about 15 kJ mol⁻¹. In the second part of this project, we have investigated the fundamental properties of three organic species that mostly contribute to the thermal runaway: UO₂(NO₃)₂(TBP)₂, UO₂(NO₃)₂(HDBP)(TBP), and UO₂(NO₃)₂(HDBP)₂ using the same quantum chemical methods that were used for TBP and its derivatives in both the gas and the liquid phase. We will discuss the structures and thermodynamic properties of all these species.

Keywords: PUREX process, red oils, quantum chemical methods, hydrolysis

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