Search results for: chemical kinetic model

Authors: Megawati, Wahyudi B. Sediawan, Hary Sulistyo, Muslikhin Hidayat

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Rice husk is a lignocellulosic source that can be converted to ethanol. Three hundreds grams of rice husk was mixed with 1 L of 0.18 N sulfuric acid solutions then was heated in an autoclave. The reaction was expected to be at constant temperature (isothermal), but before that temperature was achieved, reaction has occurred. The first liquid sample was taken at temperature of 140 0C and repeated every 5 minute interval. So the data obtained are in the regions of non-isothermal and isothermal. It was observed that the degradation has significant effects on the ethanol production. The kinetic constants can be expressed by Arrhenius equation with the frequency factors for hydrolysis and sugar degradation of 1.58 x 105 min-1 and 2.29 x 108 L/mole-min, respectively, while the activation energies are 64,350 J/mole and 76,571 J/mole. The highest ethanol concentration from fermentation is 1.13% v/v, attained at 220 0C.

Keywords: degradation, ethanol, hydrolysis, rice husk.

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Authors: Yousra M. Zakaria Helmy, Edward H. Smith

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Lake Nasser is one of the largest reservoirs in the world. Over 120 million metric tons of sediments are deposited in its dead storage zone every year. The main objective of the present work was to determine the physical and chemical characteristics of Lake Nasser sediments. The sample had a relatively low surface area of 2.9 m2/g which increased more than 3-fold upon chemical activation. The main chemical elements of the raw sediments were C, O and Si with some traces of Al, Fe and Ca. The organic functional groups for the tested sample included O-H, C=C, C-H and C-O, with indications of Si-O and other metal-C and/or metal-O bonds normally associated with clayey materials. Potentiometric titration of the sample in different ionic strength backgrounds revealed an alkaline material with very strong positive surface charge at pH values just a little less than the pH of zero charge which is ~9. Surface interactions of the sediments with the background electrolyte were significant. An advanced surface complexation model was able to capture these effects, employing a single-site approach to represent protolysis reactions in aqueous solution, and to determine the significant surface species in the pH range of environmental interest.

Keywords: Lake Nasser, sediments, surface characterization

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Authors: T. Watanabe

Abstract:

Combustion analysis of suspended sodium droplet is performed by solving numerically the Navier-Stokes equations and the energy conservation equations. The combustion model consists of the pre-ignition and post-ignition models. The reaction rate for the pre-ignition model is based on the chemical kinetics, while that for the post-ignition model is based on the mass transfer rate of oxygen. The calculated droplet temperature is shown to be in good agreement with the existing experimental data. The temperature field in and around the droplet is obtained as well as the droplet shape variation, and the present numerical model is confirmed to be effective for the combustion analysis.

Keywords: Combustion, analysis, sodium, droplet.

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Authors: Yin Yin Pey, Leok Poh Chua, Wei Long Siauw

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Linear stochastic estimation and quadratic stochastic estimation techniques were applied to estimate the entire velocity flow-field of an open cavity with a length to depth ratio of 2. The estimations were done through the use of instantaneous velocity magnitude as estimators. These measurements were obtained by Particle Image Velocimetry. The predicted flow was compared against the original flow-field in terms of the Reynolds stresses and turbulent kinetic energy. Quadratic stochastic estimation proved to be more superior than linear stochastic estimation in resolving the shear layer flow. When the velocity fluctuations were scaled up in the quadratic estimate, both the time-averaged quantities and the instantaneous cavity flow can be predicted to a rather accurate extent.

Keywords: Open cavity, Particle Image Velocimetry, Stochastic estimation, Turbulent kinetic energy.

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Authors: L. Torchane

Abstract:

In this work, our goal is to optimize the nitriding treatment at a low-temperature of the steel 32CrMoV13 using gas mixtures of ammonia, nitrogen and hydrogen to improve the mechanical properties of the surface (good wear resistance, friction and corrosion), and of the diffusion layer of the nitrogen (good resistance to fatigue and good tenacity with heart). By limiting our work to the pure iron and to the alloys iron-chromium and iron-chromium-carbon, we have studied the various parameters which manage the nitriding: flow rate and composition of the gaseous phase, the interaction chromium-nitrogen and chromium-carbon by the help of experiments of nitriding realized in the laboratory by thermogravimetry. The acquired knowledge has been applied by the mastery of the growth of the γ' combination layer on the α diffusion layer in the case of the industrial steel 32CrMoV13.

Keywords: Diffusion of nitrogen, Gaseous nitriding, Layer growth kinetic.

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Authors: Jer Hayes, Stephen Beirne, Breda M. Kiernan, Conor Slater, King-Tong Lau, Dermot Diamond

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This paper describes studies carried out to investigate the viability of using wireless cameras as a tool in monitoring changes in air quality. A camera is used to monitor the change in colour of a chemically responsive polymer within view of the camera as it is exposed to varying chemical species concentration levels. The camera captures this image and the colour change is analyzed by averaging the RGB values present. This novel chemical sensing approach is compared with an established chemical sensing method using the same chemically responsive polymer coated onto LEDs. In this way, the concentration levels of acetic acid in the air can be tracked using both approaches. These approaches to chemical plume tracking have many applications for air quality monitoring.

Keywords: Environmental sensing, chemical sensors, wirelesssensor networks.

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Authors: A.R. Mortazavi Moghaddam, M. T. Ahmadian

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Bumpers play an important role in preventing the impact energy from being transferred to the automobile and passengers. Saving the impact energy in the bumper to be released in the environment reduces the damages of the automobile and passengers. The goal of this paper is to design a bumper with minimum weight by employing the Glass Material Thermoplastic (GMT) materials. This bumper either absorbs the impact energy with its deformation or transfers it perpendicular to the impact direction. To reach this aim, a mechanism is designed to convert about 80% of the kinetic impact energy to the spring potential energy and release it to the environment in the low impact velocity according to American standard1. In addition, since the residual kinetic energy will be damped with the infinitesimal elastic deformation of the bumper elements, the passengers will not sense any impact. It should be noted that in this paper, modeling, solving and result-s analysis are done in CATIA, LS-DYNA and ANSYS V8.0 software respectively.

Keywords: Bumper, Composite material, Energy Release, GMT, Impact

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Authors: Paiboon Jeamponk, Tikamporn Thipsaeng

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This paper is aimed to investigate farmers’ level of awareness and behavior of chemical pesticide uses, by using a case study of Suan Luang Sub- District Municipality, Ampawa, Samut Songkram Province. Questionnaire was employed in this study with the farmers from 46 households to explore their level of awareness in chemical pesticide uses, while interview and observation were adopted in exploring their behavior of chemical pesticide uses. The findings reflected the farmers’ high level of awareness in chemical pesticide uses in the hazardous effects of the chemical to human and environmental health, while their behavior of chemical pesticide uses explained their awareness paid to the right way of using pesticides, for instance reading the direction on the label, keeping children and animals away from the area of pesticide mixing, covering body with clothes and wearing hat and mask, no smoking, eating or drinking during pesticide spray or standing in windward direction.

Keywords: Awareness, Behavior, Pesticide.

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Authors: Shafiq R. Qureshi, Syed Noman Danish, Muhammad Saeed Khalid

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Fossil fuels are the major source to meet the world energy requirements but its rapidly diminishing rate and adverse effects on our ecological system are of major concern. Renewable energy utilization is the need of time to meet the future challenges. Ocean energy is the one of these promising energy resources. Threefourths of the earth-s surface is covered by the oceans. This enormous energy resource is contained in the oceans- waters, the air above the oceans, and the land beneath them. The renewable energy source of ocean mainly is contained in waves, ocean current and offshore solar energy. Very fewer efforts have been made to harness this reliable and predictable resource. Harnessing of ocean energy needs detail knowledge of underlying mathematical governing equation and their analysis. With the advent of extra ordinary computational resources it is now possible to predict the wave climatology in lab simulation. Several techniques have been developed mostly stem from numerical analysis of Navier Stokes equations. This paper presents a brief over view of such mathematical model and tools to understand and analyze the wave climatology. Models of 1st, 2nd and 3rd generations have been developed to estimate the wave characteristics to assess the power potential. A brief overview of available wave energy technologies is also given. A novel concept of on-shore wave energy extraction method is also presented at the end. The concept is based upon total energy conservation, where energy of wave is transferred to the flexible converter to increase its kinetic energy. Squeezing action by the external pressure on the converter body results in increase velocities at discharge section. High velocity head then can be used for energy storage or for direct utility of power generation. This converter utilizes the both potential and kinetic energy of the waves and designed for on-shore or near-shore application. Increased wave height at the shore due to shoaling effects increases the potential energy of the waves which is converted to renewable energy. This approach will result in economic wave energy converter due to near shore installation and more dense waves due to shoaling. Method will be more efficient because of tapping both potential and kinetic energy of the waves.

Keywords: Energy Utilizing, Wave Shoaling Phenomenon

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Authors: M. A. Elbagermia, A. I. Alajtala, M. Alkerzab

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This study compares the quality of different brands of Portland Cement (PC) available in Libyan market. The amounts of chemical constituents like SiO2, Al2O3, Fe2O3, CaO, MgO, SO3 and Lime Saturation Factor (LSF) were determined in accordance with Libyan (L.S.S) and Amrican (A.S.S) Standard Specifications. All the cement studies were found to be good for concrete work especially where no special property is required. The chemical and mineralogical analyses for studied clinker samples show that the dominant phases composition are C3S and C2S while the C3A and C4AF are less abundant.

Keywords: Portland cement, Chemical Composition, Libyan market, X-ray fluorescence.

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Authors: Iuliia Zarubiieva, Joyun Tseng, Vishwesh Kulkarni

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Recent researches has focused on nucleic acids as a substrate for designing biomolecular circuits for in situ monitoring and control. A common approach is to express them by a set of idealised abstract chemical reaction networks (ACRNs). Here, we present new results on how abstract chemical reactions, viz., catalysis, annihilation and degradation, can be used to implement circuit that accurately computes logarithm function using the method of Arithmetic-Geometric Mean (AGM), which has not been previously used in conjunction with ACRNs.

Keywords: Abstract chemical reaction network, DNA strand displacement, natural logarithm.

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Authors: K. Shahril, A. Nizam, M. Sabri, A. Siti Rohana, H. Salmah

Abstract:

Chemical modifier (Acrylic Acid) is used as filler treatment to improve mechanical properties and swelling behavior of polypropylene/coconut fiber (PP/CF) composites by creating more adherent bonding between CF filler and PP Matrix. Treated (with chemical modifier) and untreated (without chemical modifier) composites were prepared in the formulation of 10 wt%, 20 wt%, 30 wt%, and 40 wt%. The mechanical testing indicates that composite with 10 wt% of untreated composite has the optimum value of tensile strength, and the composite with chemical modifier shows the tensile strength was increased. By increasing of filler loading, elastic modulus was increased while the elongation at brake was decreased. Meanwhile, the swelling test discerned that the increase of filler loading increased the water absorption of composites and the presence of chemical modifier reduced the equilibrium water absorption percentage.

Keywords: Coconut fiber, polypropylene, acid acrylic, ethanol, chemical modifier, composites.

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Authors: Mahdi Hamzehei

Abstract:

In this research, heat transfer of a poly Ethylene fluidized bed reactor without reaction were studied experimentally and computationally at different superficial gas velocities. A multifluid Eulerian computational model incorporating the kinetic theory for solid particles was developed and used to simulate the heat conducting gas–solid flows in a fluidized bed configuration. Momentum exchange coefficients were evaluated using the Syamlal– O-Brien drag functions. Temperature distributions of different phases in the reactor were also computed. Good agreement was found between the model predictions and the experimentally obtained data for the bed expansion ratio as well as the qualitative gas–solid flow patterns. The simulation and experimental results showed that the gas temperature decreases as it moves upward in the reactor, while the solid particle temperature increases. Pressure drop and temperature distribution predicted by the simulations were in good agreement with the experimental measurements at superficial gas velocities higher than the minimum fluidization velocity. Also, the predicted time-average local voidage profiles were in reasonable agreement with the experimental results. The study showed that the computational model was capable of predicting the heat transfer and the hydrodynamic behavior of gas-solid fluidized bed flows with reasonable accuracy.

Keywords: Gas-solid flows, fluidized bed, Hydrodynamics, Heat transfer, Turbulence model, CFD

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Authors: Barenten Suciu, Akio Miyamura

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In this paper, following the study-case of an inclined plane gravitational machine, efficiency of a double-cone gravitational motor and generator is evaluated. Two types of efficiency ratios, called translational efficiency and rotational efficiency, are defined relative to the intended duty of the gravitational machine, which can be either the production of translational kinetic energy, or rotational kinetic energy. One proved that, for pure rolling movement of the double- cone, in the absence of rolling friction, the total mechanical energy is conserved. In such circumstances, as the motion of the double-cone progresses along rails, the translational efficiency decreases and the rotational efficiency increases, in such way that sum of the rotational and translational efficiencies remains unchanged and equal to 1. Results obtained allow a comparison of the gravitational machine with other types of motor-generators, in terms of the achievable efficiency.

Keywords: Truncated double-cone, friction, rolling and sliding, efficiency, gravitational motor and generator.

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Authors: Anna Trusek-Holownia, Andrzej Noworyta

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Using an enzyme of known specificity the hydrolysis of protein was carried out in a controlled manner. The aim was to obtain oligopeptides being the so-called active peptides or their direct precursors. An original way of expression of the protein hydrolysis kinetics was introduced. Peptide bonds contained in the protein were recognized as a diverse-quality substrate for hydrolysis by the applied protease. This assumption was positively verified taking as an example the hydrolysis of albumin by thermolysin. Peptide linkages for this system should be divided into at least four groups. One of them is a group of bonds non-hydrolyzable by this enzyme. These that are broken are hydrolyzed at a rate that differs even by tens of thousands of times. Designated kinetic constants were k'_F = 10991.4 L/g^.h, k'_M = 14.83L/g^.h, k'_S about 10^-1 L/g^.h for fast, medium and slow bonds, respectively. Moreover, a procedure for unfolding of the protein, conducive to the improved susceptibility to enzymatic hydrolysis (approximately three-fold increase in the rate) was proposed.

Keywords: Peptide bond hydrolysis, kinetics, enzyme specificity, biologically active peptides.

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Authors: Ramin Karimzadeh, Nazi Rahimi, Mohammad Ghashghaee

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In the present research, steam cracking of two types of feedstocks i.e., naphtha and ethane is simulated for Pyrocrack1-1 and 2/2 coil configurations considering two key parameters of coil outlet temperature (COT) and coil capacity using a radical based kinetic model. The computer model is confirmed using the industrial data obtained from Amirkabir Petrochemical Complex. The results are in good agreement with performance data for naphtha cracking in a wide range of severity (0.4-0.7), and for ethane cracking on various conversions (50-70). It was found that Pyrocrack2-2 coil type is an appropriate choice for steam cracking of ethane at reasonable ethylene yield while resulting in much lower tube wall temperature while Pyrocrack1-1 coil type is a proper selection for liquid feedstocks i.e. naphtha. It can be used for cracking of liquid feedstocks at optimal ethylene yield whereas not exceeding the allowable maximum tube temperature.

Keywords: Coil configuration, Ethane, Naphtha, Steamcracking.

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Authors: Mohammad Asif

Abstract:

A large number of chemical, bio-chemical and pollution-control processes use heterogeneous fixed-bed reactors. The use of finite hollow cylindrical catalyst pellets can enhance conversion levels in such reactors. The absence of the pellet core can significantly lower the diffusional resistance associated with the solid phase. This leads to a better utilization of the catalytic material, which is reflected in the higher values for the effectiveness factor, leading ultimately to an enhanced conversion level in the reactor. It is however important to develop a rigorous heterogeneous model for the reactor incorporating the two-dimensional feature of the solid phase owing to the presence of the finite hollow cylindrical catalyst pellet. Presently, heterogeneous models reported in the literature invariably employ one-dimension solid phase models meant for spherical catalyst pellets. The objective of the paper is to present a rigorous model of the fixed-bed reactors containing finite hollow cylindrical catalyst pellets. The reaction kinetics considered here is the widely used Michaelis–Menten kinetics for the liquid-phase bio-chemical reactions. The reaction parameters used here are for the enzymatic degradation of urea. Results indicate that increasing the height to diameter ratio helps to improve the conversion level. On the other hand, decreasing the thickness is apparently not as effective. This could however be explained in terms of the higher void fraction of the bed that causes a smaller amount of the solid phase to be packed in the fixed-bed bio-chemical reactor.

Keywords: Fixed-bed reactor, Finite hollow cylinder, Catalyst pellet, Conversion, Michaelis-Menten kinetics.

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Authors: D. C. Soares, J. T. S. Santos, D. G. Costa, A. K. S. Abud, T. P. Nunes, A. V. D. Figueiredo, A. M. de Oliveira Junior

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Mangabeira (Hancornia speciosa Gomes), a native plant in Brazil, is found growing spontaneously in various regions of the country. The high perishability of tropical fruits such as mangaba, causes it to be necessary to use technologies that promote conservation, aiming to increase the shelf life of this fruit and add value. The objective of this study was to compare the mangabas lyophilization curves behaviors with different sizes and maturation stages. The fruits were freeze-dried for a period of approximately 45 hours at lyophilizer Liotop brand, model L -108. It has been considered large the fruits between 38 and 58 mm diameter and small, between 23 and 28 mm diameter and the two states of maturation, intermediate and mature. Large size mangabas drying curves in both states of maturation were linear behavior at all process, while the kinetic drying curves related to small fruits, independent of maturation state, had a typical behavior of drying, with all the well-defined steps. With these results it was noted that the time of lyophilization was suitable for small mangabas, a fact that did not happen with the larger one. This may indicate that the large mangabas require a longer time to freeze until reaches the equilibrium level, as it happens with the small fruits, going to have constant moisture at the end of the process. For both types of fruit were analyzed water activity, acidity, protein, lipid, and vitamin C before and after the process.

Keywords: Freeze dryer, mangaba, conservation, chemical characteristics.

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Authors: H. Ferfera-Harrar, T. Benhalima, D. Lerari

Abstract:

Contamination of water, due to the discharge of untreated industrial wastewaters into the ecosystem, has become a serious problem for many countries. In this study, bioadsorbents based on chitosan-g-poly(acrylamide) and montmorillonite (MMt) clay (CTS-g-PAAm/MMt) hydrogel nanocomposites were prepared via free‐radical grafting copolymerization and crosslinking of acrylamide monomer (AAm) onto natural polysaccharide chitosan (CTS) as backbone, in presence of various contents of MMt clay as nanofiller. Then, they were hydrolyzed to obtain highly functionalized pH‐sensitive nanomaterials with uppermost swelling properties. Their structure characterization was conducted by X-Ray Diffraction (XRD) and Scanning Electron Microscopy (SEM) analyses. The adsorption performances of the developed nanohybrids were examined for removal of methylene blue (MB) cationic dye from aqueous solutions. The factors affecting the removal of MB, such as clay content, pH medium, adsorbent dose, initial dye concentration and temperature were explored. The adsorption process was found to be highly pH dependent. From adsorption kinetic results, the prepared adsorbents showed remarkable adsorption capacity and fast adsorption rate, mainly more than 88% of MB removal efficiency was reached after 50 min in 200 mg L^-1 of dye solution. In addition, the incorporating of various content of clay has enhanced adsorption capacity of CTS-g-PAAm matrix from 1685 to a highest value of 1749 mg g^-1 for the optimized nanocomposite containing 2 wt.% of MMt. The experimental kinetic data were well described by the pseudo-second-order model, while the equilibrium data were represented perfectly by Langmuir isotherm model. The maximum Langmuir equilibrium adsorption capacity (q_m) was found to increase from 2173 mg g⁻¹ until 2221 mg g⁻¹ by adding 2 wt.% of clay nanofiller. Thermodynamic parameters revealed the spontaneous and endothermic nature of the process. In addition, the reusability study revealed that these bioadsorbents could be well regenerated with desorption efficiency overhead 87% and without any obvious decrease of removal efficiency as compared to starting ones even after four consecutive adsorption/desorption cycles, which exceeded 64%. These results suggest that the optimized nanocomposites are promising as low cost bioadsorbents.

Keywords: Chitosan, clay, dye adsorption, hydrogels nanocomposites.

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Authors: Rohith K Reddy, David Mayerich, Michael Walsh, P Scott Carney, Rohit Bhargava

Abstract:

Fourier transform infrared (FT-IR) spectroscopic imaging is an emerging technique that provides both chemically and spatially resolved information. The rich chemical content of data may be utilized for computer-aided determinations of structure and pathologic state (cancer diagnosis) in histological tissue sections for prostate cancer. FT-IR spectroscopic imaging of prostate tissue has shown that tissue type (histological) classification can be performed to a high degree of accuracy [1] and cancer diagnosis can be performed with an accuracy of about 80% [2] on a microscopic (≈ 6μm) length scale. In performing these analyses, it has been observed that there is large variability (more than 60%) between spectra from different points on tissue that is expected to consist of the same essential chemical constituents. Spectra at the edges of tissues are characteristically and consistently different from chemically similar tissue in the middle of the same sample. Here, we explain these differences using a rigorous electromagnetic model for light-sample interaction. Spectra from FT-IR spectroscopic imaging of chemically heterogeneous samples are different from bulk spectra of individual chemical constituents of the sample. This is because spectra not only depend on chemistry, but also on the shape of the sample. Using coupled wave analysis, we characterize and quantify the nature of spectral distortions at the edges of tissues. Furthermore, we present a method of performing histological classification of tissue samples. Since the mid-infrared spectrum is typically assumed to be a quantitative measure of chemical composition, classification results can vary widely due to spectral distortions. However, we demonstrate that the selection of localized metrics based on chemical information can make our data robust to the spectral distortions caused by scattering at the tissue boundary.

Keywords: Infrared, Spectroscopy, Imaging, Tissue classification

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Authors: Alicia Y. C. Tang, Rukaini Hj. Abdullah, Sharifuddin M. Zain

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This paper discusses the development of a qualitative simulator (abbreviated QRiOM) for predicting the behaviour of organic chemical reactions. The simulation technique is based on the qualitative process theory (QPT) ontology. The modelling constructs of QPT embody notions of causality which can be used to explain the behaviour of a chemical system. The major theme of this work is that, in a qualitative simulation environment, students are able to articulate his/her knowledge through the inspection of explanations generated by software. The implementation languages are Java and Prolog. The software produces explanation in various forms that stresses on the causal theories in the chemical system which can be effectively used to support learning.

Keywords: Chemical reactions, explanation, qualitative processtheory, simulation

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Authors: S. S. Rana, C. Janveja, S. K. Soni

Abstract:

This study is concerned with the optimization of fermentation parameters for the hyper production of mannanase from Fusarium oxysporum SS-25 employing two step statistical strategy and kinetic characterization of crude enzyme preparation. The Plackett-Burman design used to screen out the important factors in the culture medium revealed 20% (w/w) wheat bran, 2% (w/w) each of potato peels, soyabean meal and malt extract, 1% tryptone, 0.14% NH4SO4, 0.2% KH2PO4, 0.0002% ZnSO4, 0.0005% FeSO4, 0.01% MnSO4, 0.012% SDS, 0.03% NH4Cl, 0.1% NaNO3 in brewer’s spent grain based medium with 50% moisture content, inoculated with 2.8×107 spores and incubated at 30oC for 6 days to be the main parameters influencing the enzyme production. Of these factors, four variables including soyabean meal, FeSO4, MnSO4 and NaNO3 were chosen to study the interactive effects and their optimum levels in central composite design of response surface methodology with the final mannanase yield of 193 IU/gds. The kinetic characterization revealed the crude enzyme to be active over broader temperature and pH range. This could result in 26.6% reduction in kappa number with 4.93% higher tear index and 1% increase in brightness when used to treat the wheat straw based kraft pulp. The hydrolytic potential of enzyme was also demonstrated on both locust bean gum and guar gum.

Keywords: Brewer’s Spent Grain, Fusarium oxysporum, Mannanase, Response Surface Methodology.

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Authors: Zhanar S. Kudiyarova, Zhanar K. Rakhmetova, L. K. Bekbayeva, N. Z. Omirbekova, M. K. Gilmanov

Abstract:

Malate dehydrogenase-glutamate oxaloacetate aminotransferase (MDh-GOAT) enzyme complex (the EC) was isolated and purified from wheat and rise, their some main physicchemical properties were studied. Michael-s constants of the EC MDh-GOAT to malate, glutamate and NAD were investigated. This kinetic results show a high relationship to glutamate. Taking into account important role of the the EC in catabolism of glutamate – the central amino acid of a nitric exchange, there is a sharp necessity of deeper studying of this enzyme complex. Therefore the basic purpose of the work is studying the basic physical and chemical properties of this enzyme complex discovered by us, which would be very important for understanding the mechanisms of reaction catalyzed by the EC.

Keywords: Malate dehydrogenase-glutamate oxaloacetate aminotransferase, enzyme complex, glutamate.

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Authors: A. Ghaffari, A. S. Mostafavi

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Complex assemblies of interacting proteins carry out most of the interesting jobs in a cell, such as metabolism, DNA synthesis, mitosis and cell division. These physiological properties play out as a subtle molecular dance, choreographed by underlying regulatory networks that control the activities of cyclin-dependent kinases (CDK). The network can be modeled by a set of nonlinear differential equations and its behavior predicted by numerical simulation. In this paper, an innovative approach has been proposed that uses genetic algorithms to mine a set of behavior data output by a biological system in order to determine the kinetic parameters of the system. In our approach, the machine learning method is integrated with the framework of existent biological information in a wiring diagram so that its findings are expressed in a form of system dynamic behavior. By numerical simulations it has been illustrated that the model is consistent with experiments and successfully shown that such application of genetic algorithms will highly improve the performance of mathematical model of the cell division cycle to simulate such a complicated bio-system.

Keywords: Cell cycle, Cyclin-dependent kinase, Fission yeast, Genetic algorithms, Mathematical modeling, Wiring diagram

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Authors: N. Outili, A-H. Meniai

Abstract:

Modeling transfer phenomena in several chemical engineering operations leads to the resolution of partial differential equations systems. According to the complexity of the operations mechanisms, the equations present a nonlinear form and analytical solution became difficult, we have then to use numerical methods which are based on approximations in order to transform a differential system to an algebraic one.Finite element method is one of numerical methods which can be used to obtain an accurate solution in many complex cases of chemical engineering.The packed columns find a large application like contactor for liquid-liquid systems such solvent extraction. In the literature, the modeling of this type of equipment received less attention in comparison with the plate columns.A mathematical bidimensionnal model with radial and axial dispersion, simulating packed tower extraction behavior was developed and a partial differential equation was solved using the finite element method by adopting the Galerkine model. We developed a Mathcad program, which can be used for a similar equations and concentration profiles are obtained along the column. The influence of radial dispersion was prooved and it can-t be neglected, the results were compared with experimental concentration at the top of the column in the extraction system: acetone/toluene/water.

Keywords: finite element method, Galerkine method, liquidliquid extraction modelling, packed column simulation, two dimensional model

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Authors: C. Chompuchan, T. Satapanajaru, P. Suntornchot, P. Pengthamkeerati

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Residual dye contents in textile dyeing wastewater have complex aromatic structures that are resistant to degrade in biological wastewater treatment. The objectives of this study were to determine the effectiveness of nanoscale zerovalent iron (NZVI) to decolorize Reactive Black 5 (RB5) and Reactive Red 198 (RR198) in synthesized wastewater and to investigate the effects of the iron particle size, iron dosage and solution pHs on the destruction of RB5 and RR198. Synthesized NZVI was confirmed by transmission electron microscopy (TEM), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS). The removal kinetic rates (kobs) of RB5 (0.0109 min-1) and RR198 (0.0111 min-1) by 0.5% NZVI were many times higher than those of microscale zerovalent iron (ZVI) (0.0007 min-1 and 0.0008 min-1, respectively). The iron dosage increment exponentially increased the removal efficiencies of both RB5 and RR198. Additionally, lowering pH from 9 to 5 increased the decolorization kinetic rates of both RB5 and RR198 by NZVI. The destruction of azo bond (N=N) in the chromophore of both reactive dyes led to decolorization of dye solutions.

Keywords: decolorization, nanoscale zerovalent iron, Reactive Black 5, Reactive Red 198.

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Authors: Nafisur Rahman, Habibur Rahman, Syed Najmul Hejaz Azmi

Abstract:

This paper presents a simple and sensitive kinetic spectrophotometric method for the determination of ramipril in commercial dosage forms. The method is based on the reaction of the drug with 1-chloro-2,4-dinitrobenzene (CDNB) in dimethylsulfoxide (DMSO) at 100 ± 1ºC. The reaction is followed spectrophotometrically by measuring the rate of change of the absorbance at 420 nm. Fixed-time (ΔA) and equilibrium methods are adopted for constructing the calibration curves. Both the calibration curves were found to be linear over the concentration ranges 20 - 220 μg/ml. The regression analysis of calibration data yielded the linear equations: Δ A = 6.30 × 10-4 + 1.54 × 10-3 C and A = 3.62 × 10-4 + 6.35 × 10-3 C for fixed time (Δ A) and equilibrium methods, respectively. The limits of detection (LOD) for fixed time and equilibrium methods are 1.47 and 1.05 μg/ml, respectively. The method has been successfully applied to the determination of ramipril in commercial dosage forms. Statistical comparison of the results shows that there is no significant difference between the proposed methods and Abdellatef-s spectrophotometric method.

Keywords: Equilibrium method, Fixed-time (ΔA) method, Ramipril, Spectrophotometry.

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Authors: A. Naceri, M. Chikouche Hamina, P. Grosseau

Abstract:

The effect of artificial pozzolan (waste brick) on the physico-chemical properties of cement manufactured was investigated. The waste brick is generated by the manufacture of bricks. It was used in the proportions of 0%, 5%, 10%, 15% and 20% by mass of cement to study its effect on the physico-chemical properties of cement incorporating artificial pozzolan. The physicochemical properties of cement at anhydrous state and the hydrated state (chemical composition, specific weight, fineness, consistency of the cement paste and setting times) were studied. The experimental results obtained show that the quantity of pozzolanic admixture (waste brick) of cement manufactured is the principal parameter who influences on the variation of the physico-chemical properties of the cement tested.

Keywords: Artificial pozzolan, waste brick, cement, physicochemicalcharacteristics.

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Authors: Florin Leon, Silvia Curteanu

Abstract:

Developing complete mechanistic models for polymerization reactors is not easy, because complex reactions occur simultaneously; there is a large number of kinetic parameters involved and sometimes the chemical and physical phenomena for mixtures involving polymers are poorly understood. To overcome these difficulties, empirical models based on sampled data can be used instead, namely regression methods typical of machine learning field. They have the ability to learn the trends of a process without any knowledge about its particular physical and chemical laws. Therefore, they are useful for modeling complex processes, such as the free radical polymerization of methyl methacrylate achieved in a batch bulk process. The goal is to generate accurate predictions of monomer conversion, numerical average molecular weight and gravimetrical average molecular weight. This process is associated with non-linear gel and glass effects. For this purpose, an adaptive sampling technique is presented, which can select more samples around the regions where the values have a higher variation. Several machine learning methods are used for the modeling and their performance is compared: support vector machines, k-nearest neighbor, k-nearest neighbor and random forest, as well as an original algorithm, large margin nearest neighbor regression. The suggested method provides very good results compared to the other well-known regression algorithms.

Keywords: Adaptive sampling, batch bulk methyl methacrylate polymerization, large margin nearest neighbor regression, machine learning.

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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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