Search results for: kinetic model
Commenced in January 2007
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Edition: International
Paper Count: 16507

Search results for: kinetic model

16327 Quasistationary States and Mean Field Model

Authors: Sergio Curilef, Boris Atenas

Abstract:

Systems with long-range interactions are very common in nature. They are observed from the atomic scale to the astronomical scale and exhibit anomalies, such as inequivalence of ensembles, negative heat capacity, ergodicity breaking, nonequilibrium phase transitions, quasistationary states, and anomalous diffusion. These anomalies are exacerbated when special initial conditions are imposed; in particular, we use the so-called water bag initial conditions that stand for a uniform distribution. Several theoretical and practical implications are discussed here. A potential energy inspired by dipole-dipole interactions is proposed to build the dipole-type Hamiltonian mean-field model. As expected, the dynamics is novel and general to the behavior of systems with long-range interactions, which is obtained through molecular dynamics technique. Two plateaus sequentially emerge before arriving at equilibrium, which are corresponding to two different quasistationary states. The first plateau is a type of quasistationary state the lifetime of which depends on a power law of N and the second plateau seems to be a true quasistationary state as reported in the literature. The general behavior of the model according to its dynamics and thermodynamics is described. Using numerical simulation we characterize the mean kinetic energy, caloric curve, and the diffusion law through the mean square of displacement. The present challenge is to characterize the distributions in phase space. Certainly, the equilibrium state is well characterized by the Gaussian distribution, but quasistationary states in general depart from any Gaussian function.

Keywords: dipole-type interactions, dynamics and thermodynamics, mean field model, quasistationary states

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16326 Kinetic Studies of Bioethanol Production from Salt-Pretreated Sugarcane Leaves

Authors: Preshanthan Moodley, E. B. Gueguim Kana

Abstract:

This study examines the kinetics of S. cerevisiae BY4743 growth and bioethanol production from sugarcane leaf waste (SLW), utilizing two different optimized pretreatment regimes; under two fermentation modes: steam salt-alkali filtered enzymatic hydrolysate (SSA-F), steam salt-alkali unfiltered (SSA-U), microwave salt-alkali filtered (MSA-F) and microwave salt-alkali unfiltered (MSA-U). The kinetic coefficients were determined by fitting the Monod, modified Gompertz, and logistic models to the experimental data with high coefficients of determination R² > 0.97. A maximum specific growth rate (µₘₐₓ) of 0.153 h⁻¹ was obtained under SSA-F and SSA-U whereas, 0.150 h⁻¹ was observed with MSA-F and MSA-U. SSA-U gave a potential maximum bioethanol concentration (Pₘ) of 31.06 g/L compared to 30.49, 23.26 and 21.79g/L for SSA-F, MSA-F and MSA-U respectively. An insignificant difference was observed in the μmax and Pm for the filtered and unfiltered enzymatic hydrolysate for both SSA and MSA pretreatments, thus potentially reducing a unit operation. These findings provide significant insights for process scale up.

Keywords: lignocellulosic bioethanol, microwave pretreatment, sugarcane leaves, kinetics

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16325 State Estimation of a Biotechnological Process Using Extended Kalman Filter and Particle Filter

Authors: R. Simutis, V. Galvanauskas, D. Levisauskas, J. Repsyte, V. Grincas

Abstract:

This paper deals with advanced state estimation algorithms for estimation of biomass concentration and specific growth rate in a typical fed-batch biotechnological process. This biotechnological process was represented by a nonlinear mass-balance based process model. Extended Kalman Filter (EKF) and Particle Filter (PF) was used to estimate the unmeasured state variables from oxygen uptake rate (OUR) and base consumption (BC) measurements. To obtain more general results, a simplified process model was involved in EKF and PF estimation algorithms. This model doesn’t require any special growth kinetic equations and could be applied for state estimation in various bioprocesses. The focus of this investigation was concentrated on the comparison of the estimation quality of the EKF and PF estimators by applying different measurement noises. The simulation results show that Particle Filter algorithm requires significantly more computation time for state estimation but gives lower estimation errors both for biomass concentration and specific growth rate. Also the tuning procedure for Particle Filter is simpler than for EKF. Consequently, Particle Filter should be preferred in real applications, especially for monitoring of industrial bioprocesses where the simplified implementation procedures are always desirable.

Keywords: biomass concentration, extended Kalman filter, particle filter, state estimation, specific growth rate

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16324 Removal of Toxic Ni++ Ions from Wastewater by Nano-Bentonite

Authors: A. M. Ahmed, Mona A. Darwish

Abstract:

Removal of Ni++ ions from aqueous solution by sorption ontoNano-bentonite was investigated. Experiments were carried out as a function amount of Nano-bentonite, pH, concentration of metal, constant time, agitation speed and temperature. The adsorption parameter of metal ions followed the Langmuir Freundlich adsorption isotherm were applied to analyze adsorption data. The adsorption process has fit pseudo-second order kinetic models. Thermodynamics parameters e.g.ΔG*, ΔS °and ΔH ° of adsorption process have also been calculated and the sorption process was found to be endothermic. The adsorption process has fit pseudo-second order kinetic models. Langmuir and Freundich adsorption isotherm models were applied to analyze adsorption data and both were found to be applicable to the adsorption process. Thermodynamic parameters, e.g., ∆G °, ∆S ° and ∆H ° of the on-going adsorption process have also been calculated and the sorption process was found to be endothermic. Finally, it can be seen that Bentonite was found to be more effective for the removal of Ni (II) same with some experimental conditions.

Keywords: waste water, nickel, bentonite, adsorption

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16323 First Principle-Based Dft and Microkinetic Simulation of Co-Conversion of Carbon Dioxide and Methane on Single Iridium Atom Doped Hematite with Surface Oxygen Defect

Authors: Kefale W. Yizengaw, Delele Worku Ayele, Jyh-Chiang Jiang

Abstract:

The catalytic co-conversion of CO₂ and CH₄ to value-added compounds has become one of the promising approaches to addressing global climate change by having valuable fossil fuels. Thedirect co-conversion of CO₂ and CH₄ to value-added compounds is attractive but tremendously challenging because of both molecules' thermodynamic stability and kinetic inertness. In the present study, a single iridium atom doped and a single oxygen atom defect hematite (110)surface model catalyst, which can comprehend direct C–O coupling based on simultaneous activation of CO2 and CH4 was studied using density functional theory plus U (DFT + U)calculations. The presence of dual active sites on the Ir/Fe₂O₃(110)-OV surface catalyst enablesCO₂ activation on the Ir site and CH₄ activation at the defect site. The electron analysis for the theco-adsorption of CO₂ and CH₄ deals with the electron redistribution on the surface and clearly shows the synergistic effect for simultaneous CO₂ and CH₄ activation on Ir/α- Fe₂O₃(110)-OVsurface. The microkinetic analysis shows that the dissociation of CH4 to CH3 * and H* plays an excellent role in the C–O coupling. The coverage analysis for the intermediate products of the microkinetic simulation results indicates that C–O coupling is the reaction limiting step. Finally, after the CH₃O* intermediate product species is produced, the radical hydrogen species spontaneously diffuse to the CH3O* intermediate product to form methanol at around 490 [K]. The present work provides mechanistic and kinetic insights into the direct C–O coupling of CO₂and CH₄, which could help design more-efficient catalysts.

Keywords: co-conversion, C–O coupling, doping, oxygen vacancy, microkinetic

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16322 Influence of the Low Frequency Ultrasound on the Cadmium (II) Biosorption by an Ecofriendly Biocomposite (Extraction Solid Waste of Ammi visnaga / Calcium Alginate): Kinetic Modeling

Authors: L. Nouri Taiba, Y. Bouhamidi, F. Kaouah, Z. Bendjama, M. Trari

Abstract:

In the present study, an ecofriendly biocomposite namely calcium alginate immobilized Ammi Visnaga (Khella) extraction waste (SWAV/CA) was prepared by electrostatic extrusion method and used on the cadmium biosorption from aqueous phase with and without the assistance of ultrasound in batch conditions. The influence of low frequency ultrasound (37 and 80 KHz) on the cadmium biosorption kinetics was studied. The obtained results show that the ultrasonic irradiation significantly enhances and improves the efficiency of the cadmium removal. The Pseudo first order, Pseudo-second-order, Intraparticle diffusion, and Elovich models were evaluated using the non-linear curve fitting analysis method. Modeling of kinetic results shows that biosorption process is best described by the pseudo-second order and Elovich, in both the absence and presence of ultrasound.

Keywords: biocomposite, biosorption, cadmium, non-linear analysis, ultrasound

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16321 Investigation of Detectability of Orbital Objects/Debris in Geostationary Earth Orbit by Microwave Kinetic Inductance Detectors

Authors: Saeed Vahedikamal, Ian Hepburn

Abstract:

Microwave Kinetic Inductance Detectors (MKIDs) are considered as one of the most promising photon detectors of the future in many Astronomical applications such as exoplanet detections. The MKID advantages stem from their single photon sensitivity (ranging from UV to optical and near infrared), photon energy resolution and high temporal capability (~microseconds). There has been substantial progress in the development of these detectors and MKIDs with Megapixel arrays is now possible. The unique capability of recording an incident photon and its energy (or wavelength) while also registering its time of arrival to within a microsecond enables an array of MKIDs to produce a four-dimensional data block of x, y, z and t comprising x, y spatial, z axis per pixel spectral and t axis per pixel which is temporal. This offers the possibility that the spectrum and brightness variation for any detected piece of space debris as a function of time might offer a unique identifier or fingerprint. Such a fingerprint signal from any object identified in multiple detections by different observers has the potential to determine the orbital features of the object and be used for their tracking. Modelling performed so far shows that with a 20 cm telescope located at an Astronomical observatory (e.g. La Palma, Canary Islands) we could detect sub cm objects at GEO. By considering a Lambertian sphere with a 10 % reflectivity (albedo of the Moon) we anticipate the following for a GEO object: 10 cm object imaged in a 1 second image capture; 1.2 cm object for a 70 second image integration or 0.65 cm object for a 4 minute image integration. We present details of our modelling and the potential instrument for a dedicated GEO surveillance system.

Keywords: space debris, orbital debris, detection system, observation, microwave kinetic inductance detectors, MKID

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16320 Logistic Regression Model versus Additive Model for Recurrent Event Data

Authors: Entisar A. Elgmati

Abstract:

Recurrent infant diarrhea is studied using daily data collected in Salvador, Brazil over one year and three months. A logistic regression model is fitted instead of Aalen's additive model using the same covariates that were used in the analysis with the additive model. The model gives reasonably similar results to that using additive regression model. In addition, the problem with the estimated conditional probabilities not being constrained between zero and one in additive model is solved here. Also martingale residuals that have been used to judge the goodness of fit for the additive model are shown to be useful for judging the goodness of fit of the logistic model.

Keywords: additive model, cumulative probabilities, infant diarrhoea, recurrent event

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16319 Structure Clustering for Milestoning Applications of Complex Conformational Transitions

Authors: Amani Tahat, Serdal Kirmizialtin

Abstract:

Trajectory fragment methods such as Markov State Models (MSM), Milestoning (MS) and Transition Path sampling are the prime choice of extending the timescale of all atom Molecular Dynamics simulations. In these approaches, a set of structures that covers the accessible phase space has to be chosen a priori using cluster analysis. Structural clustering serves to partition the conformational state into natural subgroups based on their similarity, an essential statistical methodology that is used for analyzing numerous sets of empirical data produced by Molecular Dynamics (MD) simulations. Local transition kernel among these clusters later used to connect the metastable states using a Markovian kinetic model in MSM and a non-Markovian model in MS. The choice of clustering approach in constructing such kernel is crucial since the high dimensionality of the biomolecular structures might easily confuse the identification of clusters when using the traditional hierarchical clustering methodology. Of particular interest, in the case of MS where the milestones are very close to each other, accurate determination of the milestone identity of the trajectory becomes a challenging issue. Throughout this work we present two cluster analysis methods applied to the cis–trans isomerism of dinucleotide AA. The choice of nucleic acids to commonly used proteins to study the cluster analysis is two fold: i) the energy landscape is rugged; hence transitions are more complex, enabling a more realistic model to study conformational transitions, ii) Nucleic acids conformational space is high dimensional. A diverse set of internal coordinates is necessary to describe the metastable states in nucleic acids, posing a challenge in studying the conformational transitions. Herein, we need improved clustering methods that accurately identify the AA structure in its metastable states in a robust way for a wide range of confused data conditions. The single linkage approach of the hierarchical clustering available in GROMACS MD-package is the first clustering methodology applied to our data. Self Organizing Map (SOM) neural network, that also known as a Kohonen network, is the second data clustering methodology. The performance comparison of the neural network as well as hierarchical clustering method is studied by means of computing the mean first passage times for the cis-trans conformational rates. Our hope is that this study provides insight into the complexities and need in determining the appropriate clustering algorithm for kinetic analysis. Our results can improve the effectiveness of decisions based on clustering confused empirical data in studying conformational transitions in biomolecules.

Keywords: milestoning, self organizing map, single linkage, structure clustering

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16318 Kinetic Energy Recovery System Using Spring

Authors: Mayuresh Thombre, Prajyot Borkar, Mangirish Bhobe

Abstract:

New advancement of technology and never satisfying demands of the civilization are putting huge pressure on the natural fuel resources and these resources are at a constant threat to its sustainability. To get the best out of the automobile, the optimum balance between performance and fuel economy is important. In the present state of art, either of the above two aspects are taken into mind while designing and development process which puts the other in the loss as increase in fuel economy leads to decrement in performance and vice-versa. In-depth observation of the vehicle dynamics apparently shows that large amount of energy is lost during braking and likewise large amount of fuel is consumed to reclaim the initial state, this leads to lower fuel efficiency to gain the same performance. Current use of Kinetic Energy Recovery System is only limited to sports vehicles only because of the higher cost of this system. They are also temporary in nature as power can be squeezed only during a small time duration and use of superior parts leads to high cost, which results on concentration on performance only and neglecting the fuel economy. In this paper Kinetic Energy Recovery System for storing the power and then using the same while accelerating has been discussed. The major storing element in this system is a Flat Spiral Spring that will store energy by compression and torsion. The use of spring ensure the permanent storage of energy until used by the driver unlike present mechanical regeneration system in which the energy stored decreases with time and is eventually lost. A combination of internal gears and spur gears will be used in order to make the energy release uniform which will lead to safe usage. The system can be used to improve the fuel efficiency by assisting in overcoming the vehicle’s inertia after braking or to provide instant acceleration whenever required by the driver. The performance characteristics of the system including response time, mechanical efficiency and overall increase in efficiency are demonstrated. This technology makes the KERS (Kinetic Energy Recovery System) more flexible and economical allowing specific application while at the same time increasing the time frame and ease of usage.

Keywords: electric control unit, energy, mechanical KERS, planetary gear system, power, smart braking, spiral spring

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16317 Adsorption of Iodine from Aqueous Solution on Modified Silica Gel with Cyclodextrin Derivatives

Authors: Raied, Badr Al-Fulaiti, E. I. El-Shafey

Abstract:

Cyclodextrin (CD) derivatives (αCD, βCD, ϒCD and hp-βCD) were successfully immobilized on silica gel surface via epichlorohydrin as a cross linker. The ratio of silica to CD was optimized in preliminary experiments based on best performance of iodine adsorption capacity. Selected adsorbents with ratios of silica to CD derivatives, in this study, include Si-αCD (3:2), Si-βCD (4:1), Si-ϒCD (4:1) and Si-hp-βCD (4:1). The adsorption of iodine (I2/KI) solution was investigated in terms of initial pH, contact time, iodine concentration and temperature. No significant variations was noticed for iodine adsorption at different pH values, thus, initial pH 6 was selected for further studies. Equilibrium adsorption was reached faster on Si-hp-βCD than other adsorbents with kinetic adsorption data fitting well pseudo second order model. Activation energy (Ea) was found to be in the range of 12.7 - 23.4 kJ/mol. Equilibrium adsorption data were found to fit well the Langmuir adsorption model with lower uptake as temperature rises. Iodine uptake follows the order: Si-hp-βCD (714 mg/g) >Si-αCD (625 mg/g) >Si-βCD (555.6 mg/g)> Si-ϒCD (435 mg/g). Thermodynamic study showed that iodine adsorption is exothermic and spontaneous. Adsorbents reuse exhibited excellent performance for iodine adsorption with a decrease in iodine uptake of ~ 2- 4 % in the third adsorption cycle.

Keywords: adsorption, iodine, silica, cyclodextrin, functionalization, epichlorohydrin

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16316 Feasibility Study of Tidal Current of the Bay of Bengal to Generate Electricity as a Renewable Energy

Authors: Myisha Ahmad, G. M. Jahid Hasan

Abstract:

Electricity is the pinnacle of human civilization. At present, the growing concerns over significant climate change have intensified the importance of the use of renewable energy technologies for electricity generation. The interest is primarily due to better energy security, smaller environmental impact and providing a sustainable alternative compared to the conventional energy sources. Solar power, wind, biomass, tidal power, and wave power are some of the most reliable sources of renewable energy. Ocean approximately holds 2×10³ TW of energy and has the largest renewable energy resource on the planet. Ocean energy has many forms namely, encompassing tides, ocean circulation, surface waves, salinity and thermal gradients. Ocean tide in particular, associates both potential and kinetic energy. The study is focused on the latter concept that deals with tidal current energy conversion technologies. Tidal streams or marine currents generate kinetic energy that can be extracted by marine current energy devices and converted into transmittable energy form. The principle of technology development is very comparable to that of wind turbines. Conversion of marine tidal resources into substantial electrical power offers immense opportunities to countries endowed with such resources and this work is aimed at addressing such prospects of Bangladesh. The study analyzed the extracted current velocities from numerical model works at several locations in the Bay of Bengal. Based on current magnitudes, directions and available technologies the most fitted locations were adopted and possible annual generation capacity was estimated. The paper also examines the future prospects of tidal current energy along the Bay of Bengal and establishes a constructive approach that could be adopted in future project developments.

Keywords: bay of Bengal, energy potential, renewable energy, tidal current

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16315 Influence of High Hydrostatic Pressure Application (HHP) and Osmotic Dehydration (DO) as a Pretreatment to Hot –Air Drying of Abalone (Haliotis Rufescens) Cubes

Authors: Teresa Roco, Mario Perez Won, Roberto Lemus-Mondaca, Sebastian Pizarro

Abstract:

This research presents the simultaneous application of high hydrostatic pressure application (HHP) and osmotic dehydration (DO) as a pretreatment to hot –air drying of abalone cubes. The drying time was reduced to 6 hours at 60ºC as compared to the abalone drying by only a 15% NaCl osmotic pretreatment and at an atmospheric pressure that took 10 hours to dry at the same temperature. This was due to the salt and HHP saturation since osmotic pressure increases as water loss increases, thus needing a more reduced time in a convective drying, so water effective diffusion in drying plays an important role in this research. Different working conditions as pressure (350-550 MPa), pressure time ( 5-10 min), salt concentration, NaCl 15% and drying temperature (40-60ºC) will be optimized according to kinetic parameters of each mathematical model (Table 1). The models used for drying experimental curves were those corresponding to Weibull, Logarithmic and Midilli-Kucuk, but the latest one was the best fitted to the experimental data (Figure 1). The values for water effective diffusivity varied from 4.54 – to 9.95x10-9 m2/s for the 8 curves (DO+HHP) whereas the control samples (neither DO nor HHP) varied among 4.35 and 5.60x10-9 m2/s, for 40 and 60°C, respectively and as to drying by osmotic pretreatment at 15% NaCl from 3.804 to 4.36x10-9 m2/s at the same temperatures. Finally as to energy and efficiency consumption values for drying process (control and pretreated samples) it was found that they would be within a range of 777-1815 KJ/Kg and 8.22–19.20% respectively. Therefore, a knowledge concerning the drying kinetic as well as the consumption energy, in addition to knowledge about the quality of abalones subjected to an osmotic pretreatment (DO) and a high hydrostatic pressure (HHP) are extremely important to an industrial level so that the drying process can be successful at different pretreatment conditions and/or variable processes.

Keywords: abalone, convective drying, high pressure hydrostatic, pretreatments, diffusion coefficient

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16314 A Comparison of Biosorption of Radionuclides Tl-201 on Different Biosorbents and Their Empirical Modelling

Authors: Sinan Yapici, Hayrettin Eroglu

Abstract:

The discharge of the aqueous radionuclides wastes used for the diagnoses of diseases and treatments of patients in nuclear medicine can cause fatal health problems when the radionuclides and its stable daughter component mix with underground water. Tl-201, which is one of the radionuclides commonly used in the nuclear medicine, is a toxic substance and is converted to its stable daughter component Hg-201, which is also a poisonous heavy metal: Tl201 → Hg201 + Gamma Ray [135-167 Kev (12%)] + X Ray [69-83 Kev (88%)]; t1/2 = 73,1 h. The purpose of the present work was to remove Tl-201 radionuclides from aqueous solution by biosorption on the solid bio wastes of food and cosmetic industry as bio sorbents of prina from an olive oil plant, rose residue from a rose oil plant and tea residue from a tea plant, and to make a comparison of the biosorption efficiencies. The effects of the biosorption temperature, initial pH of the aqueous solution, bio sorbent dose, particle size and stirring speed on the biosorption yield were investigated in a batch process. It was observed that the biosorption is a rapid process with an equilibrium time less than 10 minutes for all the bio sorbents. The efficiencies were found to be close to each other and measured maximum efficiencies were 93,30 percent for rose residue, 94,1 for prina and 98,4 for tea residue. In a temperature range of 283 and 313 K, the adsorption decreased with increasing temperature almost in a similar way. In a pH range of 2-10, increasing pH enhanced biosorption efficiency up to pH=7 and then the efficiency remained constant in a similar path for all the biosorbents. Increasing stirring speed from 360 to 720 rpm enhanced slightly the biosorption efficiency almost at the same ratio for all bio sorbents. Increasing particle size decreased the efficiency for all biosorbent; however the most negatively effected biosorbent was prina with a decrease in biosorption efficiency from about 84 percent to 40 with an increase in the nominal particle size 0,181 mm to 1,05 while the least effected one, tea residue, went down from about 97 percent to 87,5. The biosorption efficiencies of all the bio sorbents increased with increasing biosorbent dose in the range of 1,5 to 15,0 g/L in a similar manner. The fit of the experimental results to the adsorption isotherms proved that the biosorption process for all the bio sorbents can be represented best by Freundlich model. The kinetic analysis showed that all the processes fit very well to pseudo second order rate model. The thermodynamics calculations gave ∆G values between -8636 J mol-1 and -5378 for tea residue, -5313 and -3343 for rose residue, and -5701 and -3642 for prina with a ∆H values of -39516 J mol-1, -23660 and -26190, and ∆S values of -108.8 J mol-1 K-1, -64,0, -72,0 respectively, showing spontaneous and exothermic character of the processes. An empirical biosorption model in the following form was derived for each biosorbent as function of the parameters and time, taking into account the form of kinetic model, with regression coefficients over 0.9990 where At is biosorbtion efficiency at any time and Ae is the equilibrium efficiency, t is adsorption period as s, ko a constant, pH the initial acidity of biosorption medium, w the stirring speed as s-1, S the biosorbent dose as g L-1, D the particle size as m, and a, b, c, and e are the powers of the parameters, respectively, E a constant containing activation energy and T the temperature as K.

Keywords: radiation, diosorption, thallium, empirical modelling

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16313 Photocatalytic Degradation of Acid Dye Over Ag, Loaded ZnO Under UV/Solar Light

Authors: Farida Kaouah, Wassila Hachi, Lamia Brahmi, Chahida Ousselah, Salim Boumaza, Mohamed Trari

Abstract:

The feasibility of using solar irradiation instead of UV light in photocatalysis is a promising approach for water treatment. In this study, photocatalytic degradation of a widely used textile dye, Acid Blue 25 (AB25), with noble metal loaded ZnO photocatalyst (Ag/ZnO), was investigated in aqueous suspension under solar light. The results showed that the deposition of Ag as a noble metal onto the ZnO surface, improved the photodegradation of AB25. . The effect of different parameters such as catalyst dose, initial dye concentration, and contact time was optimized and the optimal degradation of AB25 (97%) was achieved for initial AB25 concentration of 24 mg L−1 an catalyst dose of 1 g L−1 at natural pH (5.42) after 180 min. The kinetic studies were achieved and revealed that the photocatalytic degradation process obeyed to Langmuir–Hinshelwood model and followed a pseudo-first order rate expression. This work envisages the great potential that sunlight photocatalysis has in the degradation of dyes from wastewater

Keywords: acid dye, photocatalytic degradation, sunlight, zinc oxide, noble metal, Langmuir–Hinshelwood model

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16312 Dye Removal from Aqueous Solution by Regenerated Spent Bleaching Earth

Authors: Ahmed I. Shehab, Sabah M. Abdel Basir, M. A. Abdel Khalek, M. H. Soliman, G. Elgemeie

Abstract:

Spent bleaching earth (SBE) recycling and utilization as an adsorbent to eliminate dyes from aqueous solution was studied. Organic solvents and subsequent thermal treatment were carried out to recover and reactivate the SBE. The effect of pH, temperature, dye’s initial concentration, and contact time on the dye removal using recycled spent bleaching earth (RSBE) was investigated. Recycled SBE showed better removal affinity of cationic than anionic dyes. The maximum removal was achieved at pH 2 and 8 for anionic and cationic dyes, respectively. Kinetic data matched with the pseudo second-order model. The adsorption phenomenon governing this process was identified by the Langmuir and Freundlich isotherms for anionic dye while Freundlich model represented the sorption process for cationic dye. The changes of Gibbs free energy (ΔG°), enthalpy (ΔH°), and entropy (ΔS°) were computed and compared through thermodynamic study for both dyes.

Keywords: Spent bleaching earth, reactivation, regeneration, thermal treatment, dye removal, thermodynamic

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16311 Bioinformatics and Molecular Biological Characterization of a Hypothetical Protein SAV1226 as a Potential Drug Target for Methicillin/Vancomycin-Staphylococcus aureus Infections

Authors: Nichole Haag, Kimberly Velk, Tyler McCune, Chun Wu

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Methicillin/multiple-resistant Staphylococcus aureus (MRSA) are infectious bacteria that are resistant to common antibiotics. A previous in silico study in our group has identified a hypothetical protein SAV1226 as one of the potential drug targets. In this study, we reported the bioinformatics characterization, as well as cloning, expression, purification and kinetic assays of hypothetical protein SAV1226 from methicillin/vancomycin-resistant Staphylococcus aureus Mu50 strain. MALDI-TOF/MS analysis revealed a low degree of structural similarity with known proteins. Kinetic assays demonstrated that hypothetical protein SAV1226 is neither a domain of an ATP dependent dihydroxyacetone kinase nor of a phosphotransferase system (PTS) dihydroxyacetone kinase, suggesting that the function of hypothetical protein SAV1226 might be misannotated on public databases such as UniProt and InterProScan 5.

Keywords: Methicillin-resistant Staphylococcus aureus, dihydroxyacetone kinase, essential genes, drug target, phosphoryl group donor

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16310 Computational Fluid Dynamics Model of Various Types of Rocket Engine Nozzles

Authors: Konrad Pietrykowski, Michal Bialy, Pawel Karpinski, Radoslaw Maczka

Abstract:

The nozzle is an element of the rocket engine in which the conversion of the potential energy of gases generated during combustion into the kinetic energy of the gas stream takes place. The design parameters of the nozzle have a decisive influence on the ballistic characteristics of the engine. Designing a nozzle assembly is, therefore, one of the most responsible stages in developing a rocket engine design. The paper presents the results of the simulation of three types of rocket propulsion nozzles. Calculations were made using CFD (Computational Fluid Dynamics) in ANSYS Fluent software. The next types of nozzles differ in shape. The analysis was made of a conical nozzle, a bell type nozzle with a conical supersonic part and a bell type nozzle. Calculation results are presented in the form of pressure, velocity and kinetic energy distributions of turbulence in the longitudinal section. The courses of these values along the nozzles are also presented. The results show that the cone nozzle generates strong turbulence in the critical section. Which negatively affect the flow of the working medium. In the case of a bell nozzle, the transformation of the wall caused the elimination of flow disturbances in the critical section. This reduces the probability of waves forming before or after the trailing edge. The most sophisticated construction is the bell type nozzle. It allows you to maximize performance without adding extra weight. The bell type nozzle can be used as a starter and auxiliary engine nozzle due to its advantages. The project/research was financed in the framework of the project Lublin University of Technology-Regional Excellence Initiative, funded by the Polish Ministry of Science and Higher Education (contract no. 030/RID/2018/19).

Keywords: computational fluid dynamics, nozzle, rocket engine, supersonic flow

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16309 Experimental Investigation of Flow Structure around a Rectangular Cylinder in Different Configurations

Authors: Cemre Polat, Dogan B. Saydam, Mustafa Soyler, Coskun Ozalp

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In this study, the flow structure was investigated by particle imaging velocimetry (PIV) method at Re = 26000 for two different rectangular cylinders placed perpendicular and parallel to the flow direction. After obtaining streamwise and spanwise velocity data, average vorticity, streamlines, velocity magnitude, turbulence kinetic energy, root mean square of streamwise and spanwise velocity fluctuations are calculated, and critical points of flow structure are explained. As a result of the study, it was seen that the vertical configuration has less effect on the flow structure in the back region of the body compared to the horizontal configuration. When the streamwise velocity component is examined in both configurations, it is seen that the negative velocity component is stronger on the long sides compared to the short sides. It has been observed that the vertically positioned cylinder expands the flow separation point compared to the horizontally positioned cylinder; also the vertical cylinder creates an increase in turbulence kinetic energy compared to the horizontal cylinder.

Keywords: bluff body, flow characteristics, PIV, rectangular cylinder

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16308 Flow Control around Bluff Bodies by Attached Permeable Plates

Authors: Gokturk Memduh Ozkan, Huseyin Akilli

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The aim of present study is to control the unsteady flow structure downstream of a circular cylinder by use of attached permeable plates. Particle image velocimetry (PIV) technique and dye visualization experiments were performed in deep water and the flow characteristics were evaluated by means of time-averaged streamlines, Reynolds Shear Stress and Turbulent Kinetic Energy concentrations. The permeable plate was made of a chrome-nickel screen having a porosity value of β=0.6 and it was attached on the cylinder surface along its midspan. Five different angles were given to the plate (θ=0°, 15°, 30°, 45°, 60°) with respect to the centerline of the cylinder in order to examine its effect on the flow control. It was shown that the permeable plate is effective on elongating the vortex formation length and reducing the fluctuations in the wake region. Compared to the plain cylinder, the reductions in the values of maximum Reynolds shear stress and Turbulent Kinetic Energy were evaluated as 72.5% and 66%, respectively for the plate angles of θ=45° and 60° which were also found to be suggested for applications concerning the vortex shedding and consequent Vortex-Induced Vibrations.

Keywords: bluff body, flow control, permeable plate, PIV, VIV, vortex shedding

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16307 Determination of the Phosphate Activated Glutaminase Localization in the Astrocyte Mitochondria Using Kinetic Approach

Authors: N. V. Kazmiruk, Y. R. Nartsissov

Abstract:

Phosphate activated glutaminase (GA, E.C. 3.5.1.2) plays a key role in glutamine/glutamate homeostasis in mammalian brain, catalyzing the hydrolytic deamidation of glutamine to glutamate and ammonium ions. GA is mainly localized in mitochondria, where it has the catalytically active form on the inner mitochondrial membrane (IMM) and the other soluble form, which is supposed to be dormant. At present time, the exact localization of the membrane glutaminase active site remains a controversial and an unresolved issue. The first hypothesis called c-side localization suggests that the catalytic site of GA faces the inter-membrane space and products of the deamidation reaction have immediate access to cytosolic metabolism. According to the alternative m-side localization hypothesis, GA orients to the matrix, making glutamate and ammonium available for the tricarboxylic acid cycle metabolism in mitochondria directly. In our study, we used a multi-compartment kinetic approach to simulate metabolism of glutamate and glutamine in the astrocytic cytosol and mitochondria. We used physiologically important ratio between the concentrations of glutamine inside the matrix of mitochondria [Glnₘᵢₜ] and glutamine in the cytosol [Glncyt] as a marker for precise functioning of the system. Since this ratio directly depends on the mitochondrial glutamine carrier (MGC) flow parameters, key observation was to investigate the dependence of the [Glnmit]/[Glncyt] ratio on the maximal velocity of MGC at different initial concentrations of mitochondrial glutamate. Another important task was to observe the similar dependence at different inhibition constants of the soluble GA. The simulation results confirmed the experimental c-side localization hypothesis, in which the glutaminase active site faces the outer surface of the IMM. Moreover, in the case of such localization of the enzyme, a 3-fold decrease in ammonium production was predicted.

Keywords: glutamate metabolism, glutaminase, kinetic approach, mitochondrial membrane, multi-compartment modeling

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16306 Influence of Confined Acoustic Phonons on the Shubnikov – de Haas Magnetoresistance Oscillations in a Doped Semiconductor Superlattice

Authors: Pham Ngoc Thang, Le Thai Hung, Nguyen Quang Bau

Abstract:

The influence of confined acoustic phonons on the Shubnikov – de Haas magnetoresistance oscillations in a doped semiconductor superlattice (DSSL), subjected in a magnetic field, DC electric field, and a laser radiation, has been theoretically studied based on quantum kinetic equation method. The analytical expression for the magnetoresistance in a DSSL has been obtained as a function of external fields, DSSL parameters, and especially the quantum number m characterizing the effect of confined acoustic phonons. When m goes to zero, the results for bulk phonons in a DSSL could be achieved. Numerical calculations are also achieved for the GaAs:Si/GaAs:Be DSSL and compared with other studies. Results show that the Shubnikov – de Haas magnetoresistance oscillations amplitude decrease as the increasing of phonon confinement effect.

Keywords: Shubnikov–de Haas magnetoresistance oscillations, quantum kinetic equation, confined acoustic phonons, laser radiation, doped semiconductor superlattices

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16305 Energy Consumption in Biodiesel Production at Various Kinetic Reaction of Transesterification

Authors: Sariah Abang, S. M. Anisuzzaman, Awang Bono, D. Krishnaiah, S. Rasmih

Abstract:

Biodiesel is a potential renewable energy due to biodegradable and non-toxic. The challenge of its commercialization is associated with high production cost due to its feedstock also useful in various food products. Non-competitive feedstock such as waste cooking oils normally contains a large amount of free fatty acids (FFAs). Large amount of fatty acid degrades the alkaline catalyst in the biodiesel production, thereby decreasing the biodiesel production rate. Generally, biodiesel production processes including esterification and trans-esterification are conducting in a mixed system, in which the hydrodynamic effect on the reaction could not be completely defined. The aim of this study was to investigate the effect of variation rate constant and activation energy on energy consumption of biodiesel production. Usually, the changes of rate constant and activation energy depend on the operating temperature and the degradation of catalyst. By varying the activation energy and kinetic rate constant, the effects can be seen on the energy consumption of biodiesel production. The result showed that the energy consumption of biodiesel is dependent on the changes of rate constant and activation energy. Furthermore, this study was simulated using Aspen HYSYS.

Keywords: methanol, palm oil, simulation, transesterification, triolein

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16304 Comparison of the Performance of a Brake Energy Regeneration System in Hybrid Vehicles

Authors: Miguel Arlenzo Duran Sarmiento, Luis Alfonso Del Portillo Valdés, Carlos Borras Pinilla

Abstract:

Brake energy regeneration systems have the capacity to transform part of the vehicle's kinetic energy during deceleration into useful energy. These systems can be implemented in hybrid vehicles, which can be electric or hydraulic in type, and contribute to reducing the energy required to propel the vehicle thanks to the accumulation of energy. This paper presents the modeling and simulation of a braking energy regeneration system applied in hydraulic hybrid vehicles configured in parallel, the modeling and simulation were performed in Simulink of Matlab, where a performance comparison of the regenerated torque as a function of vehicle load, the displacement of the hydraulic regeneration device and the vehicle speed profile. The speed profiles used in the simulation are standard profiles such as the NEDC and WLTP profiles. The vehicle loads range from 1500 kg to 12000 kg. The results show the comparison of the torque required by the vehicle, the torque regenerated by the system subjected to the different speed and load conditions.

Keywords: braking energy, energy regeneration, hybrid vehicles, kinetic energy, torque

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16303 Chemical Warfare Agent Simulant by Photocatalytic Filtering Reactor: Effect of Operating Parameters

Authors: Youcef Serhane, Abdelkrim Bouzaza, Dominique Wolbert, Aymen Amin Assadi

Abstract:

Throughout history, the use of chemical weapons is not exclusive to combats between army corps; some of these weapons are also found in very targeted intelligence operations (political assassinations), organized crime, and terrorist organizations. To improve the speed of action, important technological devices have been developed in recent years, in particular in the field of protection and decontamination techniques to better protect and neutralize a chemical threat. In order to assess certain protective, decontaminating technologies or to improve medical countermeasures, tests must be conducted. In view of the great toxicity of toxic chemical agents from (real) wars, simulants can be used, chosen according to the desired application. Here, we present an investigation about using a photocatalytic filtering reactor (PFR) for highly contaminated environments containing diethyl sulfide (DES). This target pollutant is used as a simulant of CWA, namely of Yperite (Mustard Gas). The influence of the inlet concentration (until high concentrations of DES (1200 ppmv, i.e., 5 g/m³ of air) has been studied. Also, the conversion rate was monitored under different relative humidity and different flow rates (respiratory flow - standards: ISO / DIS 8996 and NF EN 14387 + A1). In order to understand the efficacity of pollutant neutralization by PFR, a kinetic model based on the Langmuir–Hinshelwood (L–H) approach and taking into account the mass transfer step was developed. This allows us to determine the adsorption and kinetic degradation constants with no influence of mass transfer. The obtained results confirm that this small configuration of reactor presents an extremely promising way for the use of photocatalysis for treatment to deal with highly contaminated environments containing real chemical warfare agents. Also, they can give birth to an individual protection device (an autonomous cartridge for a gas mask).

Keywords: photocatalysis, photocatalytic filtering reactor, diethylsulfide, chemical warfare agents

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16302 Kinetics and Thermodynamics Adsorption of Phenolic Compounds on Organic-Inorganic Hybrid Mesoporous Material

Authors: Makhlouf Mourad, Messabih Sidi Mohamed, Bouchher Omar, Houali Farida, Benrachedi Khaled

Abstract:

Mesoporous materials are very commonly used as adsorbent materials for removing phenolic compounds. However, the adsorption mechanism of these compounds is still poorly controlled. However, understanding the interactions mesoporous materials/adsorbed molecules is very important in order to optimize the processes of liquid phase adsorption. The difficulty of synthesis is to keep an orderly and cubic pore structure and achieve a homogeneous surface modification. The grafting of Si(CH3)3 was chosen, to transform hydrophilic surfaces hydrophobic surfaces. The aim of this work is to study the kinetics and thermodynamics of two volatile organic compounds VOC phenol (PhOH) and P hydroxy benzoic acid (4AHB) on a mesoporous material of type MCM-48 grafted with an organosilane of the Trimethylchlorosilane (TMCS) type, the material thus grafted or functionalized (hereinafter referred to as MCM-48-G). In a first step, the kinetic and thermodynamic study of the adsorption isotherms of each of the VOCs in mono-solution was carried out. In a second step, a similar study was carried out on a mixture of these two compounds. Kinetic models (pseudo-first order, pseudo-second order) were used to determine kinetic adsorption parameters. The thermodynamic parameters of the adsorption isotherms were determined by the adsorption models (Langmuir, Freundlich). The comparative study of adsorption of PhOH and 4AHB proved that MCM-48-G had a high adsorption capacity for PhOH and 4AHB; this may be related to the hydrophobicity created by the organic function of TMCS in MCM-48-G. The adsorption results for the two compounds using the Freundlich and Langmuir models show that the adsorption of 4AHB was higher than PhOH. The values ​​obtained by the adsorption thermodynamics show that the adsorption interactions for our sample with the phenol and 4AHB are of a physical nature. The adsorption of our VOCs on the MCM-48 (G) is a spontaneous and exothermic process.

Keywords: adsorption, kinetics, isotherm, mesoporous materials, Phenol, P-hydroxy benzoique acid

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16301 Comparative Evaluation of Kinetic Model of Chromium and Lead Uptake from Aqueous Solution by Activated Balanitesaegyptiaca Seeds

Authors: Mohammed Umar Manko

Abstract:

A series of batch experiments were conducted in order to investigate the feasibility of Balanitesaegyptiaca seeds based activated carbon as compared with industrial activated carbon for the removal of chromium and lead ions from aqueous solution by the adsorption process within 30 to 150 minutes contact time. The activated samples were prepared using zinc chloride and tetraoxophophate(VI) acid. The results obtained showed that the activated carbon of Balanitesaegyptiaca seeds studied had relatively high adsorption capacities for these heavy metal ions compared with industrial Activated Carbon. The percentage removal of Cr (VI) and lead (II) ions by the three activated carbon samples were 64%, 70% and 71%; 60%, 66% and 60% respectively. Adsorption equilibrium was established in 90 minutes for the heavy metal ions. The equilibrium data fitted the pseudo second order out of the pseudo first, pseudo second, Elovich ,Natarajan and Khalaf models tested. The investigation also showed that the adsorbents can effectively remove metal ions from similar wastewater and aqueous media.

Keywords: activated carbon, pseudo second order, chromium, lead, Elovich model

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16300 Batch Kinetic, Isotherm and Thermodynamic Studies of Copper (II) Removal from Wastewater Using HDL as Adsorbent

Authors: Nadjet Taoualit, Zoubida Chemat, Djamel-Eddine Hadj-Boussaad

Abstract:

This study aims the removal of copper Cu (II) contained in wastewater by adsorption on a perfect synthesized mud. It is the materials Hydroxides Double Lamellar, HDL, prepared and synthesized by co-precipitation method at constant pH, which requires a simple titration assembly, with an inexpensive and available material in the laboratory, and also allows us better control of the composition of the reaction medium, and gives well crystallized products. A characterization of the adsorbent proved essential. Thus a range of physic-chemical analysis was performed including: FTIR spectroscopy, X-ray diffraction… The adsorption of copper ions was investigated in dispersed medium (batch). A systematic study of various parameters (amount of support, contact time, initial copper concentration, temperature, pH…) was performed. Adsorption kinetic data were tested using pseudo-first order, pseudo-second order, Bangham's equation and intra-particle diffusion models. The equilibrium data were analyzed using Langmuir, Freundlich, Tempkin and other isotherm models at different doses of HDL. The thermodynamics parameters were evaluated at different temperatures. The results have established good potentiality for the HDL to be used as a sorbent for the removal of Copper from wastewater.

Keywords: adsoption, copper, HDL, isotherm

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16299 Efficient Pre-Concentration of As (III) Using Guanidine-Modified Magnetic Mesoporous Silica in the Food Sample

Authors: Majede Modheji, Hamid Emadi, Hossein Vojoudi

Abstract:

An efficient magnetic mesoporous structure was designed and prepared for the facile pre-concentration of As(III) ions. To prepare the sorbent, a core-shell magnetic silica nanoparticle was covered by MCM-41 like structure, and then the surface was modified by guanidine via an amine linker. The prepared adsorbent was investigated as an effective and sensitive material for the adsorption of arsenic ions from the aqueous solution applying a normal batch method. The imperative variables of the adsorption were studied to increase efficiency. The dynamic and static processes were tested that matched a pseudo-second order of kinetic model and the Langmuir isotherm model, respectively. The sorbent reusability was investigated, and it was confirmed that the designed product could be applied at best for six cycles successively without any significant efficiency loss. The synthesized product was tested to determine and pre-concentrate trace amounts of arsenic ions in rice and natural waters as a real sample. A desorption process applying 5 mL of hydrochloric acid (0.5 mol L⁻¹) as an eluent exhibited about 98% recovery of the As(III) ions adsorbed on the GA-MSMP sorbent.

Keywords: arsenic, adsorption, mesoporous, surface modification, MCM-41

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16298 Development and Investigation of Efficient Substrate Feeding and Dissolved Oxygen Control Algorithms for Scale-Up of Recombinant E. coli Cultivation Process

Authors: Vytautas Galvanauskas, Rimvydas Simutis, Donatas Levisauskas, Vykantas Grincas, Renaldas Urniezius

Abstract:

The paper deals with model-based development and implementation of efficient control strategies for recombinant protein synthesis in fed-batch E.coli cultivation processes. Based on experimental data, a kinetic dynamic model for cultivation process was developed. This model was used to determine substrate feeding strategies during the cultivation. The proposed feeding strategy consists of two phases – biomass growth phase and recombinant protein production phase. In the first process phase, substrate-limited process is recommended when the specific growth rate of biomass is about 90-95% of its maximum value. This ensures reduction of glucose concentration in the medium, improves process repeatability, reduces the development of secondary metabolites and other unwanted by-products. The substrate limitation can be enhanced to satisfy restriction on maximum oxygen transfer rate in the bioreactor and to guarantee necessary dissolved carbon dioxide concentration in culture media. In the recombinant protein production phase, the level of substrate limitation and specific growth rate are selected within the range to enable optimal target protein synthesis rate. To account for complex process dynamics, to efficiently exploit the oxygen transfer capability of the bioreactor, and to maintain the required dissolved oxygen concentration, adaptive control algorithms for dissolved oxygen control have been proposed. The developed model-based control strategies are useful in scale-up of cultivation processes and accelerate implementation of innovative biotechnological processes for industrial applications.

Keywords: adaptive algorithms, model-based control, recombinant E. coli, scale-up of bioprocesses

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