Publications | Chemical and Molecular Engineering
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1193

World Academy of Science, Engineering and Technology

[Chemical and Molecular Engineering]

Online ISSN : 1307-6892

173 Synthesis and Characterization of Gallosilicate Sodalite Containing NO2- Ions

Authors: Ashok V. Borhade, Sanjay G. Wakchaure

Abstract:

Pure phase gallosilicate nitrite sodalite has been synthesized in a single step by low temperature (373 oK) hydrothermal technique. The product obtained was characterized using a combination of techniques including X-ray powder diffraction, IR, Raman spectroscopy, SEM, MAS NMR spectroscopy as well as thermogravimetry. Sodalite with an ideal composition was obtained after synthesis at 3730K and seven days duration using alkaline medium. The structural features of the Na8[GaSiO4]6(NO2)2 sodalite were investigated by IR, MAS NMR spectroscopy of 29Si and 23Na nuclei and by Reitveld refinement of X-ray powder diffraction data. The crystal structure of this sodalite has been refined in the space group P 4 3n; with a cell parameter 8.98386Å, V= 726.9 Å, (Rwp= 0.077 and Rp=0.0537) and Si-O-Ga angle is found to be 132.920 . MAS NMR study confirms complete ordering of Si and Ga in the gallosilicate framework. The surface area of single entity with stoichiometry Na8[GaSiO4]6(NO2)2 was found to be 8.083 x10-15 cm2/g.

Keywords: Gallosilicate, hydrothermal, nitrite, Reitveldrefinement.

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172 Experimental Investigation of Phase Distributions of Two-phase Air-silicone Oil Flow in a Vertical Pipe

Authors: M. Abdulkadir, V. Hernandez-Perez, S. Sharaf, I. S. Lowndes, B. J. Azzopardi

Abstract:

This paper reports the results of an experimental study conducted to characterise the gas-liquid multiphase flows experienced within a vertical riser transporting a range of gas-liquid flow rates. The scale experiments were performed using an air/silicone oil mixture within a 6 m long riser. The superficial air velocities studied ranged from 0.047 to 2.836 m/ s, whilst maintaining a liquid superficial velocity at 0.047 m/ s. Measurements of the mean cross-sectional and time average radial void fraction were obtained using a wire mesh sensor (WMS). The data were recorded at an acquisition frequency of 1000 Hz over an interval of 60 seconds. For the range of flow conditions studied, the average void fraction was observed to vary between 0.1 and 0.9. An analysis of the data collected concluded that the observed void fraction was strongly affected by the superficial gas velocity, whereby the higher the superficial gas velocity, the higher was the observed average void fraction. The average void fraction distributions observed were in good agreement with the results obtained by other researchers. When the air-silicone oil flows were fully developed reasonably symmetric profiles were observed, with the shape of the symmetry profile being strongly dependent on the superficial gas velocity.

Keywords: WMS, phase distribution, silicone-oil, riser

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171 Optimization of the Process of Osmo – Convective Drying of Edible Button Mushrooms using Response Surface Methodology (RSM)

Authors: Behrouz Mosayebi Dehkordi

Abstract:

Simultaneous effects of temperature, immersion time, salt concentration, sucrose concentration, pressure and convective dryer temperature on the combined osmotic dehydration - convective drying of edible button mushrooms were investigated. Experiments were designed according to Central Composite Design with six factors each at five different levels. Response Surface Methodology (RSM) was used to determine the optimum processing conditions that yield maximum water loss and rehydration ratio and minimum solid gain and shrinkage in osmotic-convective drying of edible button mushrooms. Applying surfaces profiler and contour plots optimum operation conditions were found to be temperature of 39 °C, immersion time of 164 min, salt concentration of 14%, sucrose concentration of 53%, pressure of 600 mbar and drying temperature of 40 °C. At these optimum conditions, water loss, solid gain, rehydration ratio and shrinkage were found to be 63.38 (g/100 g initial sample), 3.17 (g/100 g initial sample), 2.26 and 7.15%, respectively.

Keywords: Dehydration, Mushroom, Optimization, Osmotic, Response Surface Methodology

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170 The Kinetic of Biogas Production Rate from Cattle Manure in Batch Mode

Authors: Budiyono, I N. Widiasa, S. Johari, Sunarso

Abstract:

In this study, the kinetic of biogas production was studied by performing a series laboratory experiment using rumen fluid of animal ruminant as inoculums. Cattle manure as substrate was inoculated by rumen fluid to the anaerobic biodigester. Laboratory experiments using 400 ml biodigester were performed in batch operation mode. Given 100 grams of fresh cattle manure was fed to each biodigester and mixed with rumen fluid by manure : rumen weight ratio of 1:1 (MR11). The operating temperatures were varied at room temperature and 38.5 oC. The cumulative volume of biogas produced was used to measure the biodigester performance. The research showed that the rumen fluid inoculated to biodigester gave significant effect to biogas production (P<0.05). Rumen fluid inoculums caused biogas production rate and efficiency increase two to three times in compare to manure substrate without rumen fluid. With the rumen fluid inoculums, gave the kinetic parameters of biogas production i.e biogas production rate constants (U), maximum biogas production (A), and minimum time to produce biogas (λ) are 3.89 ml/(gVS.day); 172.51 (ml/gVS); dan 7.25 days, respectively. While the substrate without rumen fluid gave the kinetic parameters U, A, and λ are 1.74 ml/(gVS.day); 73.81 (ml/gVS); dan 14.75 days, respectively. The future work will be carried out to study the dynamics of biogas production if both the rumen inoculums and manure are fed in the continuous system.

Keywords: rumen fluid, inoculums, anaerobic digestion, biogasproduction.

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169 Thermodynamic Equilibrium of Nitrogen Species Discharge: Comparison with Global Model

Authors: Saktioto, F.D Ismail, P.P. Yupapin, J. Ali

Abstract:

The equilibrium process of plasma nitrogen species by chemical kinetic reactions along various pressures is successfully investigated. The equilibrium process is required in industrial application to obtain the stable condition when heating up the material for having homogenous reaction. Nitrogen species densities is modeled by a continuity equation and extended Arrhenius form. These equations are used to integrate the change of density over the time. The integration is to acquire density and the reaction rate of each reaction where temperature and time dependence are imposed. A comparison is made with global model within pressure range of 1- 100mTorr and the temperature of electron is set to be higher than other nitrogen species. The results shows that the chemical kinetic model only agrees for high pressure because of no power imposed; while the global model considers the external power along the pressure range then the electron and nitrogen species give highly quantity densities by factor of 3 to 5.

Keywords: chemical kinetic model, Arrhenius equation, nitrogen plasma, low pressure discharge

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168 CFD Simulation of Fixed Bed Reactor in Fischer-Tropsch Synthesis of GTL Technology

Authors: Sh. Shahhosseini, S. Alinia, M. Irani

Abstract:

In this paper 2D Simulation of catalytic Fixed Bed Reactor in Fischer-Tropsch Synthesis of GTL technology has been performed utilizing computational fluid dynamics (CFD). Synthesis gas (a mixture of carbon monoxide and hydrogen) has been used as feedstock. The reactor was modeled and the model equations were solved employing finite volume method. The model was validated against the experimental data reported in literature. The comparison showed a good agreement between simulation results and the experimental data. In addition, the model was applied to predict the concentration contours of the reactants and products along the length of reactor.

Keywords: GTL, Fischer–Tropsch synthesis, Fixed Bed Reactor, CFD simulation.

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167 Deriving Causal Explanation from Qualitative Model Reasoning

Authors: Alicia Y. C. Tang, Sharifuddin M. Zain, Noorsaadah A. Rahman, Rukaini Abdullah

Abstract:

This paper discusses a qualitative simulator QRiOM that uses Qualitative Reasoning (QR) technique, and a process-based ontology to model, simulate and explain the behaviour of selected organic reactions. Learning organic reactions requires the application of domain knowledge at intuitive level, which is difficult to be programmed using traditional approach. The main objective of QRiOM is to help learners gain a better understanding of the fundamental organic reaction concepts, and to improve their conceptual comprehension on the subject by analyzing the multiple forms of explanation generated by the software. This paper focuses on the generation of explanation based on causal theories to explicate various phenomena in the chemistry subject. QRiOM has been tested with three classes problems related to organic chemistry, with encouraging results. This paper also presents the results of preliminary evaluation of QRiOM that reveal its explanation capability and usefulness.

Keywords: Artificial intelligence, explanation, ontology, organicreactions, qualitative reasoning, QPT.

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166 The Mechanistic and Oxidative Study of Methomyl and Parathion Degradation by Fenton Process

Authors: Chihhao Fan, Ming-Chu Liao

Abstract:

The purpose of this study is to investigate the chemical degradation of the organophosphorus pesticide of parathion and carbamate insecticide of methomyl in the aqueous phase through Fenton process. With the employment of batch Fenton process, the degradation of the two selected pesticides at different pH, initial concentration, humic acid concentration, and Fenton reagent dosages was explored. The Fenton process was found effective to degrade parathion and methomyl. The optimal dosage of Fenton reagents (i.e., molar concentration ratio of H2O2 to Fe2+) at pH 7 for parathion degradation was equal to 3, which resulted in 50% removal of parathion. Similarly, the optimal dosage for methomyl degradation was 1, resulting in 80% removal of methomyl. This study also found that the presence of humic substances has enhanced pesticide degradation by Fenton process significantly. The mass spectroscopy results showed that the hydroxyl free radical may attack the single bonds with least energy of investigated pesticides to form smaller molecules which is more easily to degrade either through physio-chemical or bilolgical processes.

Keywords: Fenton Process, humic acid, methomyl, parathion, pesticides

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165 Effect of Concentration of Sodium Borohydrate on the Synthesis of Silicon Nanoparticles via Microemulsion Route

Authors: W. L. Liong, Srimala Sreekantan, Sabar D. Hutagalung

Abstract:

The effect of concentration of reduction agent of sodium borohydrate (NaBH4) on the properties of silicon nanoparticles synthesized via microemulsion route is reported. In this work, the concentration of the silicon tetrachloride (SiCl4) that served as silicon source with sodium hydroxide (NaOH) and polyethylene glycol (PEG) as stabilizer and surfactant, respectively, are keep fixed. Four samples with varied concentration of NaBH4 from 0.05 M to 0.20 M were synthesized. It was found that the lowest concentration of NaBH4 gave better formation of silicon nanoparticles.

Keywords: Microelmusion, nanoparticles, reduction, silicon

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164 Phase Equilibrium in Aqueous Two-phase Systems Containing Poly (propylene glycol) and Sodium Citrate at Different pH

Authors: Farshad Rahimpour, Ali Reza Baharvand

Abstract:

The phase diagrams and compositions of coexisting phases have been determined for aqueous two-phase systems containing poly(propylene glycol) with average molecular weight of 425 and sodium citrate at various pH of 3.93, 4.44, 4.6, 4.97, 5.1, 8.22. The effect of pH on the salting-out effect of poly (propylene glycol) by sodium citrate has been studied. It was found that, an increasing in pH caused the expansion of two-phase region. Increasing pH also increases the concentration of PPG in the PPGrich phase, while the salt-rich phase will be somewhat mole diluted.

Keywords: Aqueous two-phase system, Phase equilibrium, Biomolecules purification

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163 Removal of Hydrogen Sulfide in Terms of Scrubbing Techniques using Silver Nano-Particles

Authors: SeungKyu Shin, Jeong Hyub Ha, Sung Han, JiHyeon Song

Abstract:

Silver nano-particles have been used for antibacterial purpose and it is also believed to have removal of odorous compounds, oxidation capacity as a metal catalyst. In this study, silver nano-particles in nano sizes (5-30 nm) were prepared on the surface of NaHCO3, the supporting material, using a sputtering method that provided high silver content and minimized conglomerating problems observed in the common AgNO3 photo-deposition method. The silver nano-particles were dispersed by dissolving Ag-NaHCO3 into water, and the dispersed silver nano-particles in the aqueous phase were applied to remove inorganic odor compounds, H2S, in a scrubbing reactor. Hydrogen sulfide in the gas phase was rapidly removed by the silver nano-particles, and the concentration of sulfate (SO4 2-) ion increased with time due to the oxidation reaction by silver as a catalyst. Consequently, the experimental results demonstrated that the silver nano-particles in the aqueous solution can be successfully applied to remove odorous compounds without adding additional energy sources and producing any harmful byproducts

Keywords: Silver nano-particles, Scrubbing, Oxidation, Hydrogen sulfide, Ammonia

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162 Characteristics of Cascade and C3MR Cycle on Natural Gas Liquefaction Process

Authors: Jung-in Yoon, Ho-saeng Lee, Seung-taek Oh, Sang-gyu Lee, Keun-hyung Choi

Abstract:

In this paper, several different types of natural gas liquefaction cycle. First, two processes are a cascade process with two staged compression were designed and simulated. These include Inter-cooler which is consisted to Propane, Ethylene and Methane cycle, and also, liquid-gas heat exchanger is applied to between of methane and ethylene cycles (process2) and between of ethylene and propane (process2). Also, these cycles are compared with two staged cascade process using only a Inter-cooler (process1). The COP of process2 and process3 showed about 13.99% and 6.95% higher than process1, respectively. Also, the yield efficiency of LNG improved comparing with process1 by 13.99% lower specific power. Additionally, C3MR process are simulated and compared with Process 2.

Keywords: Cascade, C3MR, LNG, Inter-cooler

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161 Generating Qualitative Causal Graph using Modeling Constructs of Qualitative Process Theory for Explaining Organic Chemistry Reactions

Authors: Alicia Y. C. Tang, Rukaini Abdullah, Sharifuddin M. Zain, Noorsaadah A. Rahman

Abstract:

This paper discusses the causal explanation capability of QRIOM, a tool aimed at supporting learning of organic chemistry reactions. The development of the tool is based on the hybrid use of Qualitative Reasoning (QR) technique and Qualitative Process Theory (QPT) ontology. Our simulation combines symbolic, qualitative description of relations with quantity analysis to generate causal graphs. The pedagogy embedded in the simulator is to both simulate and explain organic reactions. Qualitative reasoning through a causal chain will be presented to explain the overall changes made on the substrate; from initial substrate until the production of final outputs. Several uses of the QPT modeling constructs in supporting behavioral and causal explanation during run-time will also be demonstrated. Explaining organic reactions through causal graph trace can help improve the reasoning ability of learners in that their conceptual understanding of the subject is nurtured.

Keywords: Qualitative reasoning, causal graph, organicreactions, explanation, QPT, modeling constructs.

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160 Using Mixed Amine Solution for Gas Sweetening

Authors: Zare Aliabadi, Hassan, Mirzaei, Somaye

Abstract:

The use of amine mixtures employing methyldiethanolamine (MDEA), monoethanolamine (MEA), and diethanolamine (DEA) have been investigated for a variety of cases using a process simulation program called HYSYS. The results show that, at high pressures, amine mixtures have little or no advantage in the cases studied. As the pressure is lowered, it becomes more difficult for MDEA to meet residual gas requirements and mixtures can usually improve plant performance. Since the CO2 reaction rate with the primary and secondary amines is much faster than with MDEA, the addition of small amounts of primary or secondary amines to an MDEA based solution should greatly improve the overall reaction rate of CO2 with the amine solution. The addition of MEA caused the CO2 to be absorbed more strongly in the upper portion of the column than for MDEA along. On the other hand, raising the concentration for MEA to 11%wt, CO2 is almost completely absorbed in the lower portion of the column. The addition of MEA would be most advantageous. Thus, in areas where MDEA cannot meet the residual gas requirements, the use of amine mixtures can usually improve the plant performance.

Keywords: CO2, H2S, Methyldiethanolamine, Monoethanolamine

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159 Effect of Anionic and Non-ionic Surfactants on Activated Sludge Oxygen Uptake Rate and Nitrification

Authors: Maazuza Z. Othman, Liqiang Ding, Yi Jiao

Abstract:

A local wastewater treatment plant (WWTP) experiencing poor nitrification tracked down high level of surfactants in the plant-s influent and effluent. The aims of this project were to assess the potential inhibitory effect of surfactants on activated sludge processes. The effect of the presence of TergitolNP-9, TrigetolNP-7, Trigetol15-S-9, dodecylbenzene sulphonate (SDBS) and sodium dodecyl sulfate (SDS) on activated sludge oxygen uptake rate (OUR) and nitrification were assessed. The average concentration of non-ionic and anionic surfactants in the influent to the local WWTP were 7 and 8.7 mg/L, respectively. Removal of 67% to 90% of the non-ionic and 93-99% of the anionic surfactants tested were measured. All surfactants tested showed inhibitory effects both on OUR and nitrification. SDS incurred the lowest inhibition whereas SDBS and NP-9 caused severe inhibition to OUR and Nitrification. Activated sludge flocs sizes slightly decreased after 3 hours contact with the surfactant present in the test. The results obtained indicated that high concentrations of surfactants are likely to have an adverse effect on the performance of WWTPs utilizing activated sludge processes.

Keywords: surfactants, activated sludge oxygen uptake rate (OUR), nitrification, anionic surfactants, non-ionic surfactants

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158 Influence of Type of Burner on NOx Emission Characteristics from Combustion of Palm Methyl Ester

Authors: Nozomu Hashimoto, Hiroyuki Nishida, Yasushi Ozawa, Tetsushiro Iwatsubo, Jun Inumaru

Abstract:

Palm methyl ester (PME) is one of the alternative biomass fuels to liquid fossil fuels. To investigate the combustion characteristics of PME as an alternative fuel for gas turbines, combustion experiments using two types of burners under atmospheric pressure were performed. One of the burners has a configuration making strong non-premixed flame, whereas the other has a configuration promoting prevaporization of fuel droplets. The results show that the NOx emissions can be reduced by employing the latter burner without accumulation of soot when PME is used as a fuel. A burner configuration promoting prevaporzation of fuel droplets is recommended for PME.

Keywords: Palm methyl ester (PME), biodiesel fuel, gas turbine, spray combustion, NOx emission.

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157 A Study on the Effects of Thermodynamic Nonideality and Mass Transfer on Multi-phase Hydrodynamics Using CFD Methods

Authors: Irani, Mohammad, Bozorgmehry Boozarjomehry, Ramin, Pishvaie Mahmoud Reza, Ahmad Tavasoli

Abstract:

Considering non-ideal behavior of fluids and its effects on hydrodynamic and mass transfer in multiphase flow is very essential. Simulations were performed that takes into account the effects of mass transfer and mixture non-ideality on hydrodynamics reported by Irani et al. In this paper, by assuming the density of phases to be constant and Raullt-s law instead of using EOS and fugacity coefficient definition, respectively for both the liquid and gas phases, the importance of non-ideality effects on mass transfer and hydrodynamic behavior was studied. The results for a system of octane/propane (T=323 K, P =445 kpa) also indicated that the assumption of constant density in simulation had major role to diverse from experimental data. Furthermore, comparison between obtained results and the previous report indicated significant differences between experimental data and simulation results with more ideal assumptions.

Keywords: Multiphase flow, VOF, mass transfer, Raoult's law, non-ideal thermodynamic, CFD.

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156 Adsorption of Phenol, 3-Nitrophenol and Dyes from Aqueous Solutions onto an Activated Carbon Column under Semi-Batch and Continuous Operation

Authors: I. Moraitopoulos, Z. Ioannou, J. Simitzis

Abstract:

The present study examines the adsorption of phenol, 3-nitrophenol and dyes (methylene blue, alizarine yellow), from aqueous solutions onto a commercial activated carbon. Two different operations, semi-batch and continuous with reflux, were applied. The commercial activated carbon exhibits high adsorption abilities for phenol, 3-nitrophenol and dyes (methylene blue and alizarin yellow) from their aqueous solutions. The adsorption of all adsorbates after 1 h is higher by the continuous operation with reflux than by the semibatch operation. The adsorption of phenol is higher than that of 3-nitrophenol for both operations. Similarly, the adsorption of alizarin yellow is higher than that of methylene blue for both operations. The regenerated commercial activated carbon regains its adsorption ability due to the removal of the adsorbate from its pores during the regeneration.

Keywords: Activated carbon, adsorption, phenols, dyes.

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155 Removal of Phenylurea Herbicides from Waters by using Chemical Oxidation Treatments

Authors: F. Javier Benitez, Carolina Garcia, Juan Luis Acero, Francisco J. Real

Abstract:

Four phenylurea herbicides (isoproturon, chlortoluron, diuron and linuron) were dissolved in different water matrices in order to study their chemical degradation by using UV radiation, ozone and some advanced oxidation processes (UV/H2O2, O3/H2O2, Fenton reagent and the photo- Fenton system). The waters used were: ultra-pure water, a commercial mineral water, a groundwater and a surface water taken from a reservoir. Elimination levels were established for each herbicide and for several global quality parameters, and a kinetic study was performed in order to determine basic kinetic parameters of each reaction between the target phenylureas and these oxidizing systems.

Keywords: Phenylurea herbicides, UV radiation; Ozone, Fenton reagent, Hydroxyl radicals, Rate constants, Quantum yields

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154 An Experimental Study on Holdup Measurement in Fluidized Bed by Light Transmission

Authors: E. Shahbazali, N. Afrasiabi, A. A. Safekordi

Abstract:

Nowadays, fluidized bed plays an important part in industry. The design of this kind of reactor requires knowing the interfacial area between two phases and this interfacial area leads to calculate the solid holdup in the bed. Consequently achieving interfacial area between gas and solid in the bed experimentally is so significant. On interfacial area measurement in fluidized bed with gas has been worked, but light transmission technique has been used less. Therefore, in the current research the possibility of using of this technique and its accuracy are investigated. Measuring, a fluidized bed was designed and the problems were averted as far as possible. By using fine solid with equal shape and diameter and installing an optical system, the absorption of light during the time of fluidization has been measured. Results indicate that this method that its validity has been proved in the gas-liquid system, by different reasons have less application in gas-solid system. One important reason could be non-uniformity in such systems.

Keywords: Fluidization, Holdup, Light Transmission, Two phase system.

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153 Physico-chemical Treatment of Tar-Containing Wastewater Generated from Biomass Gasification Plants

Authors: Vrajesh Mehta, Anal Chavan

Abstract:

Treatment of tar-containing wastewater is necessary for the successful operation of biomass gasification plants (BGPs). In the present study, tar-containing wastewater was treated using lime and alum for the removal of in-organics, followed by adsorption on powdered activated carbon (PAC) for the removal of organics. Limealum experiments were performed in a jar apparatus and activated carbon studies were performed in an orbital shaker. At optimum concentrations, both lime and alum individually proved to be capable of removing color, total suspended solids (TSS) and total dissolved solids (TDS), but in both cases, pH adjustment had to be carried out after treatment. The combination of lime and alum at the dose ratio of 0.8:0.8 g/L was found to be optimum for the removal of inorganics. The removal efficiency achieved at optimum concentrations were 78.6, 62.0, 62.5 and 52.8% for color, alkalinity, TSS and TDS, respectively. The major advantages of the lime-alum combination were observed to be as follows: no requirement of pH adjustment before and after treatment and good settleability of sludge. Coagulation-precipitation followed by adsorption on PAC resulted in 92.3% chemical oxygen demand (COD) removal and 100% phenol removal at equilibrium. Ammonia removal efficiency was found to be 11.7% during coagulation-flocculation and 36.2% during adsorption on PAC. Adsorption of organics on PAC in terms of COD and phenol followed Freundlich isotherm with Kf = 0.55 & 18.47 mg/g and n = 1.01 & 1.45, respectively. This technology may prove to be one of the fastest and most techno-economically feasible methods for the treatment of tar-containing wastewater generated from BGPs.

Keywords: Activated carbon, Alum, Biomass gasification, Coagulation-flocculation, Lime, Tar-containing wastewater.

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152 Using Reverse Osmosis Membrane for Chromium Removal from Aqueous Solution

Authors: S. A. Mousavi Rad, S. A. Mirbagheri, T. Mohammadi

Abstract:

In this paper, removal of chromium(VI) from aqueous solution has been researched using reverse osmosis. The influence of transmembrane pressure and feed concentration on permeate flux, water recovery, permeate concentration, and salt rejection was studied. The results showed that according to the variation of transmembrane pressure and feed concentration, the permeate flux and salt rejection were in the range 19.17 to 58.75 l/m2.min and 99.51 to 99.8 %, respectively. The highest permeate flux, 58.75 l/m2.min, and water recovery, 42.47 %, were obtained in the highest pressure and the lowest feed concentration. On the other hand, the lowest permeate concentration, 0.01 mg/l, and the highest salt rejection, 99.8 %, were obtained in the highest pressure and the lowest feed concentration.

Keywords: solution, Chromium, Removal, Reverse osmosis.

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151 Evaluating the Interactions of Co2-Ionic Liquid Systems through Molecular Modeling

Authors: S. Yamini Sudha, Ashok Khanna

Abstract:

Owing to the stringent environmental legislations, CO2 capture and sequestration is one of the viable solutions to reduce the CO2 emissions from various sources. In this context, Ionic liquids (ILs) are being investigated as suitable absorption media for CO2 capture. Due to their non-evaporative, non-toxic, and non-corrosive nature, these ILs have the potential to replace the existing solvents like aqueous amine solutions for CO2 separation technologies. Thus, the present work aims at studying the important aspects such as the interactions of CO2 molecule with different anions (F-, Br-, Cl-, NO3 -, BF4 -, PF6 -, Tf2N-, and CF3SO3 -) that are commonly used in ILs through molecular modeling. In this, the minimum energy structures have been obtained using Ab initio based calculations at MP2 (Moller-Plesset perturbation) level. Results revealed various degrees of distortion of CO2 molecule (from its linearity) with the anions studied, most likely due to the Lewis acid-base interactions between CO2 and anion. Furthermore, binding energies for the anion-CO2 complexes were also calculated. The implication of anion-CO2 interactions to the solubility of CO2 in ionic liquids is also discussed.

Keywords: CO2, Ionic liquids, capture, molecular modeling, sequestration.

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150 Model of Continuous Cheese Whey Fermentation by Candida Pseudotropicalis

Authors: Rudy Agustriyanto, Akbarningrum Fatmawati

Abstract:

The utilization of cheese whey as a fermentation substrate to produce bio-ethanol is an effort to supply bio-ethanol demand as a renewable energy. Like other process systems, modeling is also required for fermentation process design, optimization and plant operation. This research aims to study the fermentation process of cheese whey by applying mathematics and fundamental concept in chemical engineering, and to investigate the characteristic of the cheese whey fermentation process. Steady state simulation results for inlet substrate concentration of 50, 100 and 150 g/l, and various values of hydraulic retention time, showed that the ethanol productivity maximum values were 0.1091, 0.3163 and 0.5639 g/l.h respectively. Those values were achieved at hydraulic retention time of 20 hours, which was the minimum value used in this modeling. This showed that operating reactor at low hydraulic retention time was favorable. Model of bio-ethanol production from cheese whey will enhance the understanding of what really happen in the fermentation process.

Keywords: Cheese whey, ethanol, fermentation, modeling.

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149 Kinetic Study of Gluconic Acid Batch Fermentation by Aspergillus niger

Authors: Akbarningrum Fatmawati, Rudy Agustriyanto, Lindawati

Abstract:

Gluconic acid is one of interesting chemical products in industries such as detergents, leather, photographic, textile, and especially in food and pharmaceutical industries. Fermentation is an advantageous process to produce gluconic acid. Mathematical modeling is important in the design and operation of fermentation process. In fact, kinetic data must be available for modeling. The kinetic parameters of gluconic acid production by Aspergillus niger in batch culture was studied in this research at initial substrate concentration of 150, 200 and 250 g/l. The kinetic models used were logistic equation for growth, Luedeking-Piret equation for gluconic acid formation, and Luedeking-Piret-like equation for glucose consumption. The Kinetic parameters in the model were obtained by minimizing non linear least squares curve fitting.

Keywords: Aspergillus niger, fermentation, gluconic acid, kinetic.

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148 Dynamics in Tangible Chemical Reactions

Authors: Patrick Maier, Marcus Tönnis, Gudrun Klinker

Abstract:

Spatial understanding and the understanding of dynamic change in the spatial structure of molecules during a reaction is essential for designing new molecules. Knowing the physical processes in the reactions helps to speed up the designing process. To support the designer with the correct representation of the designed molecule as well as showing the dynamic behavior of the whole reacting system is the goal of our application. Our system shows the spatial deformation of the molecules at every time interval by minimizing the energy level of the molecules. The position and orientation of the molecules can be intuitively controlled by manipulating objects of the real world using Augmented Reality techniques. Our approach has the potential to speed up the design of new molecules and help students to understand the chemical processes better.

Keywords: Augmented Augmented Chemical Reactions, Augmented Reality, chemistry, education.

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147 Performance of an Electrocoagulation Process in Treating Direct Dye: Batch and Continuous Upflow Processes

Authors: C. Phalakornkule, S. Polgumhang, W. Tongdaung

Abstract:

This study presents an investigation of electrochemical variables and an application of the optimal parameters in operating a continuous upflow electrocoagulation reactor in removing dye. Direct red 23, which is azo-based, was used as a representative of direct dyes. First, a batch mode was employed to optimize the design parameters: electrode type, electrode distance, current density and electrocoagulation time. The optimal parameters were found to be iron anode, distance between electrodes of 8 mm and current density of 30 A·m-2 with contact time of 5 min. The performance of the continuous upflow reactor with these parameters was satisfactory, with >95% color removal and energy consumption in the order of 0.6-0.7 kWh·m-3.

Keywords: Decolorization, Direct Dye, Electrocoagulation, Textile Wastewater, Upflow Reactor.

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146 Thermodynamic Study for Aggregation Behavior of Hydrotropic Solution

Authors: Meghal Desai, Jigisha Parikh

Abstract:

Aggregation behavior of sodium salicylate and sodium cumene sulfonate was studied in aqueous solution at different temperature. Specific conductivity and relative viscosity were measured at different temperature to find minimum hydrotropic concentration. The thermodynamic parameters (free energy, enthalpy and entropy) were evaluated in the temperature range of 30°C-70°C. The free energy decreased with increase in temperature. The aggregation was found to be exothermic in nature and favored by positive value of entropy.

Keywords: Hydrotropes, Enthalpy, Entropy, Free Energy, Minimum Hydrotropic Concentration.

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145 Higher Plants Ability to Assimilate Explosives

Authors: G. Khatisashvili, M. Gordeziani, G. Adamia, E. Kvesitadze, T. Sadunishvili, G. Kvesitadze

Abstract:

The ability of agricultural and decorative plants to absorb and detoxify TNT and RDX has been studied. All tested 8 plants, grown hydroponically, were able to absorb these explosives from water solutions: Alfalfa > Soybean > Chickpea> Chikling vetch >Ryegrass > Mung bean> China bean > Maize. Differently from TNT, RDX did not exhibit negative influence on seed germination and plant growth. Moreover, some plants, exposed to RDX containing solution were increased in their biomass by 20%. Study of the fate of absorbed [1-14ðí]-TNT revealed the label distribution in low and high-molecular mass compounds, both in roots and above ground parts of plants, prevailing in the later. Content of 14ðí in lowmolecular compounds in plant roots are much higher than in above ground parts. On the contrary, high-molecular compounds are more intensively labeled in aboveground parts of soybean. Most part (up to 70%) of metabolites of TNT, formed either by enzymatic reduction or oxidation, is found in high molecular insoluble conjugates. Activation of enzymes, responsible for reduction, oxidation and conjugation of TNT, such as nitroreductase, peroxidase, phenoloxidase and glutathione S-transferase has been demonstrated. Among these enzymes, only nitroreductase was shown to be induced in alfalfa, exposed to RDX. The increase in malate dehydrogenase activities in plants, exposed to both explosives, indicates intensification of Tricarboxylic Acid Cycle, that generates reduced equivalents of NAD(P)H, necessary for functioning of the nitroreductase. The hypothetic scheme of TNT metabolism in plants is proposed.

Keywords: Higher plants, TNT, RDX, transformation.

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144 Study the Biological Activities of Tribulus Terrestris Extracts

Authors: Ahmed A. Hussain, Abbas A. Mohammed, Heba. H. Ibrahim, Amir H. Abbas

Abstract:

In this study the extracts of the Iraqi herb Tribulus terrestris (Al-Hassage or Al-Kutub) was done by using of polar and non polar solvents, then the biological activity of these extractants was studied in three fields, First, the antibacterial activity (in vitro) on gram positive bacteria (Staphylococcus aureus), and gram negative bacteria (E. coli, Proteus vulgaris, Pseudomonas aerugiuosa, and Klebsiella), all extracts showed considerable activity against all bacteria. Second, the effect of extracts on free serum testosterone level in male mice (in vivo), the alcoholic, and acetonitrilic extracts showed significant (P < 0.05) increase in free serum testosterone level, and we found that the extracts contained compounds with less genotoxic effects in mice germ cells. 3rd, was to study the effect of methanolic extract of T. terrestris in diabetes management.

Keywords: Genotoxic, germ cells, tribulus terrestris, testosterone.

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