Search results for: equilibrium isotherm
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 981

Search results for: equilibrium isotherm

801 Economic Stability in a Small Open Economy with Income Effect on Leisure Demand

Authors: Yu-Shan Hsu

Abstract:

This paper studies a two-sector growth model with a technology of social constant returns and with a utility that features either a zero or a positive income effect on the demand for leisure. The purpose is to investigate how the existence of aggregate instability or equilibrium indeterminacy depends on both the intensity of the income effect on the demand for leisure and the value of the labor supply elasticity. The main finding is that when there is a factor intensity reversal between the private perspective and the social perspective, indeterminacy arises even if the utility has a positive income effect on leisure demand. Moreover, we find that a smaller value of the labor supply elasticity increases the range of the income effect on leisure demand and thus increases the possibility of equilibrium indeterminacy. JEL classification: E3; O41

Keywords: indeterminacy, non-separable preferences, income effect, labor supply elasticity

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800 Destruction of Coastal Wetlands in Harper City-Liberia: Setting Nature against the Future Society

Authors: Richard Adu Antwako

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Coastal wetland destruction and its consequences have recently taken the center stage of global discussions. This phenomenon is no gray area to humanity as coastal wetland-human interaction seems inevitably ingrained in the earliest civilizations, amidst the demanding use of its resources to meet their necessities. The severity of coastal wetland destruction parallels with growing civilizations, and it is against this backdrop that, this paper interrogated the causes of coastal wetland destruction in Harper City in Liberia, compared the degree of coastal wetland stressors to the non-equilibrium thermodynamic scale as well as suggested an integrated coastal zone management to address the problems. Literature complemented the primary data gleaned via global positioning system devices, field observation, questionnaire, and interviews. Multi-sampling techniques were used to generate data from the sand miners, institutional heads, fisherfolk, community-based groups, and other stakeholders. Non-equilibrium thermodynamic theory remains vibrant in discerning the ecological stability, and it would be employed to further understand the coastal wetland destruction in Harper City, Liberia and to measure the coastal wetland stresses-amplitude and elasticity. The non-equilibrium thermodynamics postulates that the coastal wetlands are capable of assimilating resources (inputs), as well as discharging products (outputs). However, the input-output relationship exceedingly stretches beyond the thresholds of the coastal wetlands, leading to coastal wetland disequilibrium. Findings revealed that the sand mining, mangrove removal, and crude dumping have transformed the coastal wetlands, resulting in water pollution, flooding, habitat loss and disfigured beaches in Harper City in Liberia. This paper demonstrates that the coastal wetlands are converted into developmental projects and agricultural fields, thus, endangering the future society against nature.

Keywords: amplitude, crude dumping, elasticity, non-equilibrium thermodynamics, wetland destruction

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799 Physics-Informed Machine Learning for Displacement Estimation in Solid Mechanics Problem

Authors: Feng Yang

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Machine learning (ML), especially deep learning (DL), has been extensively applied to many applications in recently years and gained great success in solving different problems, including scientific problems. However, conventional ML/DL methodologies are purely data-driven which have the limitations, such as need of ample amount of labelled training data, lack of consistency to physical principles, and lack of generalizability to new problems/domains. Recently, there is a growing consensus that ML models need to further take advantage of prior knowledge to deal with these limitations. Physics-informed machine learning, aiming at integration of physics/domain knowledge into ML, has been recognized as an emerging area of research, especially in the recent 2 to 3 years. In this work, physics-informed ML, specifically physics-informed neural network (NN), is employed and implemented to estimate the displacements at x, y, z directions in a solid mechanics problem that is controlled by equilibrium equations with boundary conditions. By incorporating the physics (i.e. the equilibrium equations) into the learning process of NN, it is showed that the NN can be trained very efficiently with a small set of labelled training data. Experiments with different settings of the NN model and the amount of labelled training data were conducted, and the results show that very high accuracy can be achieved in fulfilling the equilibrium equations as well as in predicting the displacements, e.g. in setting the overall displacement of 0.1, a root mean square error (RMSE) of 2.09 × 10−4 was achieved.

Keywords: deep learning, neural network, physics-informed machine learning, solid mechanics

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798 Direct Transient Stability Assessment of Stressed Power Systems

Authors: E. Popov, N. Yorino, Y. Zoka, Y. Sasaki, H. Sugihara

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This paper discusses the performance of critical trajectory method (CTrj) for power system transient stability analysis under various loading settings and heavy fault condition. The method obtains Controlling Unstable Equilibrium Point (CUEP) which is essential for estimation of power system stability margins. The CUEP is computed by applying the CTrjto the boundary controlling unstable equilibrium point (BCU) method. The Proposed method computes a trajectory on the stability boundary that starts from the exit point and reaches CUEP under certain assumptions. The robustness and effectiveness of the method are demonstrated via six power system models and five loading conditions. As benchmark is used conventional simulation method whereas the performance is compared with and BCU Shadowing method.

Keywords: power system, transient stability, critical trajectory method, energy function method

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797 Time Integrated Measurements of Radon and Thoron Progeny Concentration in Various Dwellings of Bathinda District of Punjab Using Deposition Based Progeny Sensors

Authors: Kirandeep Kaur, Rohit Mehra, Pargin Bangotra

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Radon and thoron are pervasive radioactive gases and so are their progenies. The progenies of radon and thoron are present in the indoor atmosphere as attached/unattached fractions. In the present work, seasonal variation of concentration of attached and total (attached + unattached) nanosized decay products of indoor radon and thoron has been studied in the dwellings of Bathinda District of Punjab using Deposition based progeny sensors over long integrated times, which are independent of air turbulence. The preliminary results of these measurements are reported particularly regarding DTPS (Direct Thoron Progeny Sensor) and DRPS (Direct Radon Progeny Sensor) for the first time in Bathinda. It has been observed that there is a strong linear relationship in total EERC (Equilibrium Equivalent Radon Concentration) and EETC (Equilibrium Equivalent Thoron Concentration) in rainy season (R2 = 0.83). Further a strong linear relation between total indoor radon concentration and attached fraction has also been observed for the same rainy season (R2= 0.91). The concentration of attached progeny of radon (EERCatt) is 76.3 % of the total Equilibrium Equivalent Radon Concentration (EERC).

Keywords: radon, thoron, progeny, DTPS/DRPS, EERC, EETC, seasonal variation

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796 Nanoparticle Based Green Inhibitor for Corrosion Protection of Zinc in Acidic Medium

Authors: Neha Parekh, Divya Ladha, Poonam Wadhwani, Nisha Shah

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Nano scaled materials have attracted tremendous interest as corrosion inhibitor due to their high surface area on the metal surfaces. It is well known that the zinc oxide nanoparticles have higher reactivity towards aqueous acidic solution. This work presents a new method to incorporate zinc oxide nanoparticles with white sesame seeds extract (nano-green inhibitor) for corrosion protection of zinc in acidic medium. The morphology of the zinc oxide nanoparticles was investigated by TEM and DLS. The corrosion inhibition efficiency of the green inhibitor and nano-green inhibitor was determined by Gravimetric and electrochemical impedance spectroscopy (EIS) methods. Gravimetric measurements suggested that nano-green inhibitor is more effective than green inhibitor. Furthermore, with the increasing temperature, inhibition efficiency increases for both the inhibitors. In addition, it was established the Temkin adsorption isotherm fits well with the experimental data for both the inhibitors. The effect of temperature and Temkin adsorption isotherm revealed Chemisorption mechanism occurring in the system. The activation energy (Ea) and other thermodynamic parameters for inhibition process were calculated. The data of EIS showed that the charge transfer controls the corrosion process. The surface morphology of zinc metal (specimen) in absence and presence of green inhibitor and nano-green inhibitor were performed using Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM) techniques. The outcomes indicated a formation of a protective layer over zinc metal (specimen).

Keywords: corrosion, green inhibitor, nanoparticles, zinc

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795 Global Analysis in a Growth Economic Model with Perfect-Substitution Technologies

Authors: Paolo Russu

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The purpose of the present paper is to highlight some features of an economic growth model with environmental negative externalities, giving rise to a three-dimensional dynamic system. In particular, we show that the economy, which is based on a Perfect-Substitution Technologies function of production, has no neither indeterminacy nor poverty trap. This implies that equilibrium select by economy depends on the history (initial values of state variable) of the economy rather than on expectations of economies agents. Moreover, by contrast, we prove that the basin of attraction of locally equilibrium points may be very large, as they can extend up to the boundary of the system phase space. The infinite-horizon optimal control problem has the purpose of maximizing the representative agent’s instantaneous utility function depending on leisure and consumption.

Keywords: Hopf bifurcation, open-access natural resources, optimal control, perfect-substitution technologies, Poincarè compactification

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794 On the Influence of Thermal Radiation Upon Heat Transfer Characteristics of a Porous Media Under Local Thermal Non-Equilibrium Condition

Authors: Yasser Mahmoudi, Nader Karimi

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The present work investigates numerically the effect of thermal radiation from the solid phase on the rate of heat transfer inside a porous medium. Forced convection heat transfer process within a pipe filled with a porous media is considered. The Darcy-Brinkman-Forchheimer model is utilized to represent the fluid transport within the porous medium. A local thermal non-equilibrium (LTNE), two-equation model is used to represent the energy transport for the solid and fluid phases. The radiative heat transfer equation is solved by discrete ordinate method (DOM) to compute the radiative heat flux in the porous medium. Two primary approaches (models A and B) are used to represent the boundary conditions for constant wall heat flux. The effects of radiative heat transfer on the Nusselt numbers of the two phases are examined by comparing the results obtained by the application of models A and B. The fluid Nusselt numbers calculated by the application of models A and B show that the Nusselt number obtained by model A for the radiative case is higher than those predicted for the non-radiative case. However, for model B the fluid Nusselt numbers obtained for the radiative and non-radiative cases are similar.

Keywords: porous media, local thermal non-equilibrium, forced convection heat transfer, thermal radiation, Discrete Ordinate Method (DOM)

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793 Experimental Study of the Modifications of the Bed of a River under Extreme Flow Conditions

Authors: A. Ghenaim, A. Terfous

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In this work, degradation phenomena in fluvial beds having uniform sediments are explored experimentally under extreme flow conditions. Laboratory experiments were conducted in a rectangular cross-section channel for different flow conditions, channel characteristics, and sediment properties at the National Institute of Applied Sciences (Strasbourg, France). Tests were carried out in two conditions: (1) equilibrium condition, where, once the steady and uniform flow conditions were achieved for a given slope and discharge, the channel was fed with variable sediment discharges until the bed-load sediment transport achieved an equilibrium condition; and (2) nonequilibrium condition, where the sediment feeding was instantaneously stopped, and the bed levels were measured over time. Experimental results enabled assessing the erosion rates and determining the empirical mathematical model to predict the bed level changes.

Keywords: fluvial beds, sediment, uniform flow conditions, nonequilibrium condition, sediment disposition, erosion

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792 Synergistic Extraction Study of Cobalt (II) from Sulfate Medium by Mixtures of Capric Acid and Tri-N-Octylphosphine Oxide in Chloroform

Authors: F. Adjel, S. Almi, D. Barkat

Abstract:

The synergistic solvent extraction of cobalt (II) from 0.33 mol dm-3 Na2SO4 aqueous solutions with capric acid (HL) in the absence and presence of tri-n-octylphosphine oxide (TOPO) in chloroform at 25°C, has been studied. The extracted species when the capric acid compound was used alone, is CoL2(HL)2. In the presence of TOPO, a remarkable enhancement on the extraction of nickel (II) with 0.02 mol dm-3 capric acid was observed upon the addition of 0.0025 to 0.01 mol dm-3 TOPO in chloroform. From an synergistic extraction- equilibrium study, the synergistic enhancement was ascribed to the adduct formation CoL2(HL)2 n(TOPO). The TOPO-HL interaction strongly influences the synergistic extraction efficiency. The synergistic extraction stoichiometry of cobalt (II) with capric acid and TOPO is studied with the methods of slope analysis. The equilibrium constants were determined.

Keywords: solvent extraction, cobalt (II), capric acid, TOPO, synergism

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791 Climate Change Adaptation in Agriculture: A General Equilibrium Analysis of Land Re-Allocation in Nepal

Authors: Sudarshan Chalise, Athula Naranpanawa

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This paper attempts to investigate the viability of cropland re-allocation as an adaptation strategy to minimise the economy-wide costs of climate change on agriculture. Nepal makes an interesting case study as it is one of the most vulnerable agricultural economies within South Asia. This paper develops a comparative static multi-household Computable General Equilibrium (CGE) model for Nepal with a nested set of Constant Elasticity of Transformation (CET) functional forms to model the allocation of land within different agricultural sectors. Land transformation elasticities in these CET functions are allowed to reflect the ease of switching from one crop to another based on their agronomic characteristics. The results suggest that, in the long run, farmers in Nepal tend to allocate land to crops that are comparatively less impacted by climate change, such as paddy, thereby minimizing the economy-wide impacts of climate change. Furthermore, the results reveal that land re-allocation tends to reduce the income disparity among different household groups by significantly moderating the income losses of rural marginal farmers. Therefore, it is suggested that policy makers in Nepal should prioritise schemes such as providing climate-smart paddy varieties (i.e., those that are resistant to heat, drought and floods) to farmers, subsidising fertilizers, improving agronomic practices, and educating farmers to switch from crops that are highly impacted by climate change to those that are not, such as paddy.

Keywords: climate change, general equilibrium, land re-allocation, nepalese agriculture

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790 Clathrate Hydrate Measurements and Thermodynamic Modelling for Refrigerants with Electrolytes Solution in the Presence of Cyclopentane

Authors: Peterson Thokozani Ngema, Paramespri Naidoo, Amir H. Mohammadi, Deresh Ramjugernath

Abstract:

Phase equilibrium data (dissociation data) for clathrate hydrate (gas hydrate) were undertaken for systems involving fluorinated refrigerants with a single and mixed electrolytes (NaCl, CaCl₂, MgCl₂, and Na₂SO₄) aqueous solution at various salt concentrations in the absence and presence of cyclopentane (CP). The ternary systems for (R410a or R507) with the water system in the presence of CP were performed in the temperature and pressures ranges of (279.8 to 294.4) K and (0.158 to 1.385) MPa, respectively. Measurements for R410a with single electrolyte {NaCl or CaCl₂} solution in the presence of CP were undertaken at salt concentrations of (0.10, 0.15 and 0.20) mass fractions in the temperature and pressure ranges of (278.4 to 293.7) K and (0.214 to1.179) MPa, respectively. The temperature and pressure conditions for R410a with Na₂SO₄ aqueous solution system were investigated at a salt concentration of 0.10 mass fraction in the range of (283.3 to 291.6) K and (0.483 to 1.373) MPa respectively. Measurements for {R410a or R507} with mixed electrolytes {NaCl, CaCl₂, MgCl₂} aqueous solution was undertaken at various salt concentrations of (0.002 to 0.15) mass fractions in the temperature and pressure ranges of (274.5 to 292.9) K and (0.149 to1.119) MPa in the absence and presence of CP, in which there is no published data related to mixed salt and a promoter. The phase equilibrium measurements were performed using a non-visual isochoric equilibrium cell that co-operates the pressure-search technique. This study is focused on obtaining equilibrium data that can be utilized to design and optimize industrial wastewater, desalination process and the development of Hydrate Electrolyte–Cubic Plus Association (HE–CPA) Equation of State. The results show an impressive improvement in the presence of promoter (CP) on hydrate formation because it increases the dissociation temperatures near ambient conditions. The results obtained were modeled using a developed HE–CPA equation of state. The model results strongly agree with the measured hydrate dissociation data.

Keywords: association, desalination, electrolytes, promoter

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789 Synergistic Extraction of Cobalt (II) from Sulfate Medium by Mixtures of Capric Acid and Methyl Isobutyl Cétone in Chloroform

Authors: F. Adjel, C. Bensmail, S. Almi, D. Barkat

Abstract:

The synergistic solvent extraction of cobalt (II) from 0.33 mol dm^-3 Na2SO4 aqueous solutions with capric acid (HL) in the absence and presence of methyl isobutyl cétone (MIBK) in chloroform at 25°C, has been studied. The extracted species when the capric acid compound was used alone, is CoL2(HL)2. In the presence of MIBK, a remarkable enhancement on the extraction of nickel (II) with 0.02 mol dm^-3 capric acid was observed upon the addition of 0.0025 to 0.01 mol dm^-3 MIBK in chloroform. From a synergistic extraction-equilibrium study, the synergistic enhancement was ascribed to the adduct formation CoL2(HL)2 n(MIBK). The MIBK-HL interaction strongly influences the synergistic extraction efficiency. The synergistic extraction stoichiometry of cobalt (II) with capric acid and MIBK is studied with the methods of slope analysis. The equilibrium constants were determined.

Keywords: solvent extraction, cobalt (II), capric acid, MIBK, synergism

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788 Modelling the Effect of Distancing and Wearing of Face Masks on Transmission of COVID-19 Infection Dynamics

Authors: Nurudeen Oluwasola Lasisi

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The COVID-19 is an infection caused by coronavirus, which has been designated as a pandemic in the world. In this paper, we proposed a model to study the effect of distancing and wearing masks on the transmission of COVID-19 infection dynamics. The invariant region of the model is established. The COVID-19 free equilibrium and the reproduction number of the model were obtained. The local and global stability of the model is determined using the linearization technique method and Lyapunov method. It was found that COVID-19 free equilibrium state is locally asymptotically stable in feasible region Ω if R₀ < 1 and globally asymptomatically stable if R₀ < 1, otherwise unstable if R₀ > 1. More so, numerical analysis and simulations of the dynamics of the COVID-19 infection are presented.

Keywords: distancing, reproduction number, wearing of mask, local and global stability, modelling, transmission

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787 Surfactant-Modified Chitosan Beads: An Efficient and Cost Effective Material for Adsorptive Removal of Lead from Aqueous Solutions

Authors: Preeti Pal, Anjali Pal

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Chitosan is an effective sorbent for removal of contaminants from wastewater. However, the ability of pure chitosan is specific because of its cationic charge. It causes repulsion in the removal process of various cationic charged molecules. The present study has been carried out for the successful removal of Pb²⁺ ions from aqueous solution by modified chitosan beads. Surface modification of chitosan (CS) beads was performed by using the anionic surfactant (AS), sodium dodecyl sulfate (SDS). Micelle aggregation property of SDS has been utilized for the formation of bilayer over the CS beads to produce surfactant modified chitosan (SMCS) beads. Prepared adsorbents were characterized by Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM) in order to find out their composition and surface morphology. SMCS beads, when compared to the pure CS beads, showed three times higher adsorption. This higher adsorption is believed to be due to the adsolubilization of Pb²⁺ ions on SDS bilayer. This bilayer provides more adsorption sites for quick and effective removal of Pb²⁺ ions from the aqueous phase. Moreover, the kinetic and adsorption isotherm models were employed to the obtained data for the description of the lead adsorption processes. It was found that the removal kinetics follows pseudo-second order model. Adsorption isotherm data fits well to the Langmuir model. The maximum adsorption capacity obtained is 100 mg/g at the dosage of 0.675 g/L for 50 mg/L of Pb²⁺. The adsorption capacity is subject to increase with increasing the Pb²⁺ ions concentration in the solution. The results indicated that the prepared hydrogel beads are efficient adsorbent for removal of Pb²⁺ ions from the aqueous medium.

Keywords: adsolubilisation, anionic surfactant, bilayer, chitosan, Pb²⁺

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786 A Time since of Injection Model for Hepatitis C Amongst People Who Inject Drugs

Authors: Nader Al-Rashidi, David Greenhalgh

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Mathematical modelling techniques are now being used by health organizations worldwide to help understand the likely impact that intervention strategies treatment options and combinations of these have on the prevalence and incidence of hepatitis C virus (HCV) in the people who inject drugs (PWID) population. In this poster, we develop a deterministic, compartmental mathematical model to approximate the spread of the HCV in a PWID population that has been divided into two groups by time since onset of injection. The model assumes that after injection needles adopt the most infectious state of their previous state or that of the PWID who last injected with them. Using analytical techniques, we find that the model behaviour is determined by the basic reproductive number R₀, where R₀ = 1 is a critical threshold separating two different outcomes. The disease-free equilibrium is globally stable if R₀ ≤ 1 and unstable if R₀ > 1. Additionally, we make some simulations where have confirmed that the model tends to this endemic equilibrium value with realistic parameter values giving an HCV prevalence.

Keywords: hepatitis C, people who inject drugs, HCV, PWID

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785 Imputing the Minimum Social Value of Public Healthcare: A General Equilibrium Model of Israel

Authors: Erez Yerushalmi, Sani Ziv

Abstract:

The rising demand for healthcare services, without a corresponding rise in public supply, led to a debate on whether to increase private healthcare provision - especially in hospital services and second-tier healthcare. Proponents for increasing private healthcare highlight gains in efficiency, while opponents its risk to social welfare. None, however, provide a measure of the social value and its impact on the economy in terms of a monetary value. In this paper, we impute a minimum social value of public healthcare that corresponds to indifference between gains in efficiency, with losses to social welfare. Our approach resembles contingent valuation methods that introduce a hypothetical market for non-commodities, but is different from them because we use numerical simulation techniques to exploit certain market failure conditions. In this paper, we develop a general equilibrium model that distinguishes between public-private healthcare services and public-private financing. Furthermore, the social value is modelled as a by product of healthcare services. The model is then calibrated to our unique health focused Social Accounting Matrix of Israel, and simulates the introduction of a hypothetical health-labour market - given that it is heavily regulated in the baseline (i.e., the true situation in Israel today). For baseline parameters, we estimate the minimum social value at around 18% public healthcare financing. The intuition is that the gain in economic welfare from improved efficiency, is offset by the loss in social welfare due to a reduction in available social value. We furthermore simulate a deregulated healthcare scenario that internalizes the imputed value of social value and searches for the optimal weight of public and private healthcare provision.

Keywords: contingent valuation method (CVM), general equilibrium model, hypothetical market, private-public healthcare, social value of public healthcare

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784 Synergistic Extraction Study of Nickel (II) from Sulfate Medium by Mixtures of Capric Acid and Tri-N-Octylphosphine Oxide in Chloroform

Authors: F. Adjel, S. Almi, D. Barkat

Abstract:

The synergistic solvent extraction of nickel ion from 0.33 mol dm^-3 Na2SO4 aqueous solutions with capric acid (HL) in the absence and presence of Tri-n-octylphosphine oxide (TOPO) in chloroform at 25°C, has been studied. The extracted species when the capric acid compound was used alone, is NiL2 and NiL2(HL). In the presence of TOPO, a remarkable enhancement on the extraction of nickel (II) with 0.02 mol dm^-3 capric acid was observed upon the addition of 0.00125 and 0.0025 mol dm^-3 TOPO in chloroform. From a synergistic extraction- equilibrium study, the synergistic enhancement was ascribed to the adduct formation NiL2(TOPO) and NiL2(HL)(TOPO). The TOPO-HL interaction strongly influences the synergistic extraction efficiency. The synergistic extraction stoichiometry of nickel (II) with capric acid and TOPO is studied with the methods of slope analysis. The equilibrium constants were determined.

Keywords: solvent extraction, nickel(II), capric acid, TOPO, synergism

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783 Theoretical Investigation of the Singlet and Triplet Electronic States of ⁹⁰ZrS Molecules

Authors: Makhlouf Sandy, Adem Ziad, Taher Fadia, Magnier Sylvie

Abstract:

The electronic structure of 90ZrS has been investigated using Ab-initio methods based on Complete Active Space Self Consistent Field and Multi-reference Configuration Interaction (CASSCF/MRCI). The number of predicted states has been extended to 14 singlet and 12 triplet lowest-lying states situated below 36000cm-1. The equilibrium energies of these 26 lowest-lying electronic states have been calculated in the 2S+1Λ(±) representation. The potential energy curves have been plotted in function of the inter-nuclear distances in a range of 1.5 to 4.5Å. Spectroscopic constants, permanent electric dipole moments and transition dipole moments between the different electronic states have also been determined. A discrepancy error of utmost 5% for the majority of values shows a good agreement with available experimental data. The ground state is found to be of symmetry X1Σ+ with an equilibrium inter-nuclear distance Re= 2.16Å. However, the (1)3Δ is the closest state to X1Σ+ and is situated at 514 cm-1. To the best of our knowledge, this is the first time that the spin-orbit coupling has been investigated for all the predicted states of ZrS. 52 electronic components in the Ω(±) representation have been predicted. The energies of these components, the spectroscopic constants ωe, ωeχe, βe and the equilibrium inter-nuclear distances have been also obtained. The percentage composition of the Ω state wave-functions in terms of S-Λ states was calculated to identify their corresponding main parents. These (SOC) calculations have determined the shift between (1)3Δ1 and X1Σ+ states and confirmed the ground state type being 1Σ+.

Keywords: CASSCF/MRCI, electronic structure, spin-orbit effect, zirconium monosulfide

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782 Chemical and Vibrational Nonequilibrium Hypersonic Viscous Flow around an Axisymmetric Blunt Body

Authors: Rabah Haoui

Abstract:

Hypersonic flows around spatial vehicles during their reentry phase in planetary atmospheres are characterized by intense aerothermodynamics phenomena. The aim of this work is to analyze high temperature flows around an axisymmetric blunt body taking into account chemical and vibrational non-equilibrium for air mixture species and the no slip condition at the wall. For this purpose, the Navier-Stokes equations system is resolved by the finite volume methodology to determine the flow parameters around the axisymmetric blunt body especially at the stagnation point and in the boundary layer along the wall of the blunt body. The code allows the capture of shock wave before a blunt body placed in hypersonic free stream. The numerical technique uses the Flux Vector Splitting method of Van Leer. CFL coefficient and mesh size level are selected to ensure the numerical convergence.

Keywords: hypersonic flow, viscous flow, chemical kinetic, dissociation, finite volumes, frozen and non-equilibrium flow

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781 Electrospun Fibers Made from Biopolymers (Cellulose Acetate/Chitosan) for Metals Recovery

Authors: Mauricio Gómez, Esmeralda López, Ian Becar, Jaime Pizarro, Paula A. Zapata

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A biodegradable material is developed with adsorptive capacity for metals ion for intended use in mining tailings mitigating the environmental impact with economic retribution, two types of fibers were elaborated by electrospinning: (1) a cellulose acetate (CA) matrix and (2) a cellulose acetate (CA)/chitosan (CH) matrix evaluating the effect of CH in CA on its physicochemical properties. Through diffuse reflectance infrared fourier transform spectroscopy (DRIFTS) the incorporation of chitosan in the matrix was identified, observing the band of the amino group at 1500 - 1600 [cm-1]. By scanning electron microscopy (SEM), Hg porosimetry, and CO2 isotherm at 273 [K], the intrafiber microporosity and interfiber macroporosity were identified, with an increase in the distribution of macropores for CA/CH fibers. In the tensile test, CH into the matrix produces a more ductile and tenacious behavior, where the % elongation at break increased by 33% with the other parameters constant. Thermal analysis by differential scanning calorimetry (DSC) and Thermogravimetric Analysis (TGA) showed that the incorporation of chitosan produces higher retention of water molecules due to the functional groups (amino groups (- NH3)), but there is a decrease in the specific heat and thermoplastic properties of the matrix since the glass transition temperature and softening temperature disappear. The effect of the optimum pH for CA and CA/CH fibers were studied in a batch system. In the adsorption kinetic study, the best isotherm model adapted to the experimental results corresponds to the Sips model and the kinetics corresponds to pseudo-second order

Keywords: environmental materials, wastewater treatment, electrospun fibers, biopolymers (cellulose acetate/chitosan), metals recovery

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780 Study of the Removal Efficiency of Azo-Dyes Using Xanthan as Sequestering Agent

Authors: Cedillo Ortiz Cesar Isaac, Marañón-Ruiz Virginia-Francisca, Lozano-Alvarez Juan Antonio, Jáuregui-Rincón Juan, Roger Chiu Zarate

Abstract:

Introduction: The contamination of water with the azo-dye is a problem worldwide as although wastewater contaminate is treated in a municipal sewage system, still contain a considerable amount of dyes. In the present, there are different processes denominated tertiary method in which it is possible to lower the concentration of the dye. One of these methods is by adsorption onto various materials which can be organic or inorganic materials. The xanthan is a biomaterial as removal agents to decrease the dye content in aqueous solution. The Zimm-Bragg model described the experimental isotherms obtained when this biopolymer was used in the removal of textile dyes. Nevertheless, it was not established if a possible correlation between dye structure and removal efficiency exists. In this sense, the principal objective of this report is to propose a qualitative relationship between the structure of three azo-dyes (Congo Red (CR), Methyl Red (MR) and Methyl Orange (MO)) and their removal efficiency from aqueous environment when xanthan are used as dye sequestering agents. Methods: The dyes were subjected to different pH and ionic strength values to obtain the conditions of maximum dye removal. Afterward, these conditions were used to perform the adsorption isotherm as was reported in the previous study in our group. The Zimm-Bragg model was used to describe the experimental data and the parameters of nucleation (Ku) and cooperativity (U) were obtained by optimization using the R statistical software. The spectra from UV-Visible (aqueous solution), Infrared absorption and Raman spectroscopies (dry samples) were obtained from the biopolymer-dye complex. Results: The removal percent with xanthan in each dye are as follows: with CR had 99.98 % when the pH is 12 and ionic strength is 10.12, with MR had 84.79 % when the pH is 9.5 and ionic strength is 43 and finally the MO had 30 % in pH 4 and 72. It can be seen that when xanthan is used to remove the dyes, exists a lower dependence between structure and removal efficiency. This may be due to the different tendency to form aggregates of each dye. This aggregation capacity and the charge of each dye resulting from the pH and ionic strength values of aqueous solutions are key factors in the dye removal. The experimental isotherm of MR was only that adequately described by Zimm-Bragg model. Because with the CR had the 100 % of remove thus is very difficult obtain de experimental isotherm and finally MO had results fluctuating and therefore was impossible get the accurate data. Conclusions: The study of the removal of three dyes with xanthan as dye sequestering agents suggests that aggregation capacity of dyes and the charge resulting from structural characteristics such as molecular weight and functional groups have a relationship with the removal efficiency. Acknowledgements: We are gratefully acknowledged support for this project by Consejo Nacional de Ciencia y Tecnología, México (CONACyT, Grant No. 632694.)

Keywords: adsorption, azo dyes, xanthan gum, Zimm Bragg theory

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779 The Reason Why Al-Kashi’s Understanding of Islamic Arches Was Wrong

Authors: Amin Moradi, Maryam Moeini

Abstract:

It is a widely held view that Ghiyath al-Din Jamshid-e-Kashani, also known as al-Kashi (1380-1429 CE), was the first who played a significant role in the interaction between mathematicians and architects by introducing theoretical knowledge in Islamic architecture. In academic discourses, geometric rules extracted from his splendid volume titled as Key of Arithmetic has uncritically believed by historians of architecture to contemplate the whole process of arch design all throughout the Islamic buildings. His theories tried to solve the fundamental problem of structural design and to understand what makes an Islamic structure safe or unsafe. As a result, al-Kashi arrived at the conclusion that a safe state of equilibrium is achieved through a specific geometry as a rule. This paper reassesses the stability of al-Kashi's systematized principal forms to evaluate the logic of his hypothesis with a special focus on large spans. Besides the empirical experiences of the author in masonry constructions, the finite element approach was proposed considering the current standards in order to get a better understanding of the validity of geometric rules proposed by al-Kashi for the equilibrium conditions of Islamic masonry arches and vaults. The state of damage of his reference arches under loading condition confirms beyond any doubt that his conclusion of the geometrical configuration measured through his treaties present some serious operational limits and do not go further than some individualized mathematical hypothesis. Therefore, the nature of his mathematical studies regarding Islamic arches is in complete contradiction with the practical knowledge of construction methodology.

Keywords: Jamshid al-Kashani, Islamic architecture, Islamic geometry, construction equilibrium, collapse mechanism

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778 Social Distancing as a Population Game in Networked Social Environments

Authors: Zhijun Wu

Abstract:

While social living is considered to be an indispensable part of human life in today's ever-connected world, social distancing has recently received much public attention on its importance since the outbreak of the coronavirus pandemic. In fact, social distancing has long been practiced in nature among solitary species and has been taken by humans as an effective way of stopping or slowing down the spread of infectious diseases. A social distancing problem is considered for how a population, when in the world with a network of social sites, decides to visit or stay at some sites while avoiding or closing down some others so that the social contacts across the network can be minimized. The problem is modeled as a population game, where every individual tries to find some network sites to visit or stay so that he/she can minimize all his/her social contacts. In the end, an optimal strategy can be found for everyone when the game reaches an equilibrium. The paper shows that a large class of equilibrium strategies can be obtained by selecting a set of social sites that forms a so-called maximal r-regular subnetwork. The latter includes many well-studied network types, which are easy to identify or construct and can be completely disconnected (with r = 0) for the most-strict isolation or allow certain degrees of connectivity (with r > 0) for more flexible distancing. The equilibrium conditions of these strategies are derived. Their rigidity and flexibility are analyzed on different types of r-regular subnetworks. It is proved that the strategies supported by maximal 0-regular subnetworks are strictly rigid, while those by general maximal r-regular subnetworks with r > 0 are flexible, though some can be weakly rigid. The proposed model can also be extended to weighted networks when different contact values are assigned to different network sites.

Keywords: social distancing, mitigation of spread of epidemics, populations games, networked social environments

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777 Lifespan Assessment of the Fish Crossing System of Itaipu Power Plant (Brazil/Paraguay) Based on the Reaching of Its Sedimentological Equilibrium Computed by 3D Modeling and Churchill Trapping Efficiency

Authors: Anderson Braga Mendes, Wallington Felipe de Almeida, Cicero Medeiros da Silva

Abstract:

This study aimed to assess the lifespan of the fish transposition system of the Itaipu Power Plant (Brazil/Paraguay) by using 3D hydrodynamic modeling and Churchill trapping effiency in order to identify the sedimentological equilibrium configuration in the main pond of the Piracema Channel, which is part of a 10 km hydraulic circuit that enables fish migration from downstream to upstream (and vice-versa) the Itaipu Dam, overcoming a 120 m water drop. For that, bottom data from 2002 (its opening year) and 2015 were collected and analyzed, besides bed material at 12 stations to the purpose of identifying their granulometric profiles. The Shields and Yalin and Karahan diagrams for initiation of motion of bed material were used to determine the critical bed shear stress for the sedimentological equilibrium state based on the sort of sediment (grain size) to be found at the bottom once the balance is reached. Such granulometry was inferred by analyzing the grosser material (fine and medium sands) which inflows the pond and deposits in its backwater zone, being adopted a range of diameters within the upper and lower limits of that sand stratification. The software Delft 3D was used in an attempt to compute the bed shear stress at every station under analysis. By modifying the input bathymetry of the main pond of the Piracema Channel so as to the computed bed shear stress at each station fell within the intervals of acceptable critical stresses simultaneously, it was possible to foresee the bed configuration of the main pond when the sedimentological equilibrium is reached. Under such condition, 97% of the whole pond capacity will be silted, and a shallow water course with depths ranging from 0.2 m to 1.5 m will be formed; in 2002, depths ranged from 2 m to 10 m. Out of that water path, the new bottom will be practically flat and covered by a layer of water 0.05 m thick. Thus, in the future the main pond of the Piracema Channel will lack its purpose of providing a resting place for migrating fish species, added to the fact that it may become an insurmountable barrier for medium and large sized specimens. Everything considered, it was estimated that its lifespan, from the year of its opening to the moment of the sedimentological equilibrium configuration, will be approximately 95 years–almost half of the computed lifespan of Itaipu Power Plant itself. However, it is worth mentioning that drawbacks concerning the silting in the main pond will start being noticed much earlier than such time interval owing to the reasons previously mentioned.

Keywords: 3D hydrodynamic modeling, Churchill trapping efficiency, fish crossing system, Itaipu power plant, lifespan, sedimentological equilibrium

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776 Investigation of Static Stability of Soil Slopes Using Numerical Modeling

Authors: Seyed Abolhasan Naeini, Elham Ghanbari Alamooti

Abstract:

Static stability of soil slopes using numerical simulation by a finite element code, ABAQUS, has been investigated, and safety factors of the slopes achieved in the case of static load of a 10-storey building. The embankments have the same soil condition but different loading distance from the slope heel. The numerical method for estimating safety factors is 'Strength Reduction Method' (SRM). Mohr-Coulomb criterion used in the numerical simulations. Two steps used for measuring the safety factors of the slopes: first is under gravity loading, and the second is under static loading of a building near the slope heel. These safety factors measured from SRM, are compared with the values from Limit Equilibrium Method, LEM. Results show that there is good agreement between SRM and LEM. Also, it is seen that by increasing the distance from slope heel, safety factors increases.

Keywords: limit equilibrium method, static stability, soil slopes, strength reduction method

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775 Quantum Statistical Mechanical Formulations of Three-Body Problems via Non-Local Potentials

Authors: A. Maghari, V. M. Maleki

Abstract:

In this paper, we present a quantum statistical mechanical formulation from our recently analytical expressions for partial-wave transition matrix of a three-particle system. We report the quantum reactive cross sections for three-body scattering processes 1 + (2,3)-> 1 + (2,3) as well as recombination 1 + (2,3) -> 2 + (3,1) between one atom and a weakly-bound dimer. The analytical expressions of three-particle transition matrices and their corresponding cross-sections were obtained from the three-dimensional Faddeev equations subjected to the rank-two non-local separable potentials of the generalized Yamaguchi form. The equilibrium quantum statistical mechanical properties such partition function and equation of state as well as non-equilibrium quantum statistical properties such as transport cross-sections and their corresponding transport collision integrals were formulated analytically. This leads to obtain the transport properties, such as viscosity and diffusion coefficient of a moderate dense gas.

Keywords: statistical mechanics, nonlocal separable potential, three-body interaction, faddeev equations

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774 Sorption of Congo Red from Aqueous Solution by Surfactant-Modified Bentonite: Kinetic and Factorial Design Study

Authors: B. Guezzen, M. A. Didi, B. Medjahed

Abstract:

An organoclay (HDTMA-B) was prepared from sodium bentonite (Na-B). The starting material was modified using the hexadecyltrimethylammonium ion (HDTMA+) in the amounts corresponding to 100 % of the CEC value. Batch experiments were carried out in order to model and optimize the sorption of Congo red dye from aqueous solution. The pseudo-first order and pseudo-second order kinetic models have been developed to predict the rate constant and the sorption capacity at equilibrium with the effect of temperature, the solid/solution ratio and the initial dye concentration. The equilibrium time was reached within 60 min. At room temperature (20 °C), optimum dye sorption of 49.4 mg/g (98.9%) was achieved at pH 6.6, sorbent dosage of 1g/L and initial dye concentration of 50 mg/L, using surfactant modified bentonite. The optimization of adsorption parameters mentioned above on dye removal was carried out using Box-Behnken design. The sorption parameters were analyzed statistically by means of variance analysis by using the Statgraphics Centurion XVI software.

Keywords: adsorption, dye, factorial design, kinetic, organo-bentonite

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773 Isotherm Study for Phenol Removal onto GAC

Authors: Lallan Singh Yadav, Bijay Kumar Mishra, Manoj Kumar Mahapatra, Arvind Kumar

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Adsorption data for phenol removal onto granular activated carbon were fitted to Langmuir and Freundlich isotherms. The adsorption capacity of phenol was estimated to be 16.12 mg/g at initial pH=5.7. The thermodynamics of adsorption process has also been determined in the present work.

Keywords: adsorption, phenol, granular activated carbon, bioinformatics, biomedicine

Procedia PDF Downloads 581
772 Reliability-Based Design of an Earth Slope Taking into Account Unsaturated Soil Properties

Authors: A. T. Siacara, A. T. Beck, M. M. Futai

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This paper shows how accurately and efficiently reliability analyses of geotechnical installations can be performed by directly coupling geotechnical software with a reliability solver. An earth slope is used as the study object. The limit equilibrium method of Morgenstern-Price is used to calculate factors of safety and find the critical slip surface. The deterministic software package Seep/W and Slope/W is coupled with the StRAnD reliability software. Reliability indexes of critical probabilistic surfaces are evaluated by the first-order reliability methods (FORM). By means of sensitivity analysis, the effective cohesion (c') is found to be the most relevant uncertain geotechnical parameter for slope equilibrium. The slope was tested using different geometries, taking into account unsaturated soil properties. Finally, a critical slip surface, identified in terms of minimum factor of safety, is shown here not to be the critical surface in terms of reliability index.

Keywords: slope, unsaturated, reliability, safety, seepage

Procedia PDF Downloads 117