Study on the Derivatization Process Using N-O-bis-(trimethylsilyl)-trifluoroacetamide,N-(tert-butyldimethylsilyl)-N-methyltrifluoroacetamide, Trimethylsilydiazomethane for the Determination of Fecal Sterols by Gas Chromatography-Mass Spectrometry

Fecal sterol has been proposed as a chemical indicator of human fecal pollution even when fecal coliform populations have diminished due to water chlorination or toxic effects of industrial effluents. This paper describes an improved derivatization procedure for simultaneous determination of four fecal sterols including coprostanol, epicholestanol, cholesterol and cholestanol using gas chromatography-mass spectrometry (GC-MS), via optimization study on silylation procedures using N-O-bis (trimethylsilyl)-trifluoroacetamide (BSTFA), and N-(tert-butyldimethylsilyl)-N-methyltrifluoroacetamide (MTBSTFA), which lead to the formation of trimethylsilyl (TMS) and tert-butyldimethylsilyl (TBS) derivatives, respectively. Two derivatization processes of injection-port derivatization and water bath derivatization (60 oC, 1h) were inspected and compared. Furthermore, the methylation procedure at 25 oC for 2h with trimethylsilydiazomethane (TMSD) for fecal sterols analysis was also studied. It was found that most of TMS derivatives demonstrated the highest sensitivities, followed by methylated derivatives. For BSTFA or MTBSTFA derivatization processes, the simple injection-port derivatization process could achieve the same efficiency as that in the tedious water bath derivatization procedure.

Neural Network-Based Control Strategies Applied to a Fed-Batch Crystallization Process

This paper is focused on issues of process modeling and two model based control strategies of a fed-batch sugar crystallization process applying the concept of artificial neural networks (ANNs). The control objective is to force the operation into following optimal supersaturation trajectory. It is achieved by manipulating the feed flow rate of sugar liquor/syrup, considered as the control input. The control task is rather challenging due to the strong nonlinearity of the process dynamics and variations in the crystallization kinetics. Two control alternatives are considered – model predictive control (MPC) and feedback linearizing control (FLC). Adequate ANN process models are first built as part of the controller structures. MPC algorithm outperforms the FLC approach with respect to satisfactory reference tracking and smooth control action. However, the MPC is computationally much more involved since it requires an online numerical optimization, while for the FLC an analytical control solution was determined.

Impregnation of Cupper into Kanuma Volcanic Ash Soil to Improve Mercury Sorption Capacity

The present study attempted to improve the Mercury (Hg) sorption capacity of kanuma volcanic ash soil (KVAS) by impregnating the cupper (Cu). Impregnation was executed by 1 and 5% Cu powder and sorption characterization of optimum Hg removing Cu impregnated KVAS was performed under different operational conditions, contact time, solution pH, sorbent dosage and Hg concentration using the batch operation studies. The 1% Cu impregnated KVAS pronounced optimum improvement (79%) in removing Hg from water compare to control. The present investigation determined the equilibrium state of maximum Hg adsorption at 6 h contact period. The adsorption revealed a pH dependent response and pH 3.5 showed maximum sorption capacity of Hg. Freundlich isotherm model is well fitted with the experimental data than that of Langmuir isotherm. It can be concluded that the Cu impregnation improves the Hg sorption capacity of KVAS and 1% Cu impregnated KVAS could be employed as cost-effective adsorbent media for treating Hg contaminated water.

Application of Exact String Matching Algorithms towards SMILES Representation of Chemical Structure

Bioinformatics and Cheminformatics use computer as disciplines providing tools for acquisition, storage, processing, analysis, integrate data and for the development of potential applications of biological and chemical data. A chemical database is one of the databases that exclusively designed to store chemical information. NMRShiftDB is one of the main databases that used to represent the chemical structures in 2D or 3D structures. SMILES format is one of many ways to write a chemical structure in a linear format. In this study we extracted Antimicrobial Structures in SMILES format from NMRShiftDB and stored it in our Local Data Warehouse with its corresponding information. Additionally, we developed a searching tool that would response to user-s query using the JME Editor tool that allows user to draw or edit molecules and converts the drawn structure into SMILES format. We applied Quick Search algorithm to search for Antimicrobial Structures in our Local Data Ware House.

Thermogravimetry Study on Pyrolysis of Various Lignocellulosic Biomass for Potential Hydrogen Production

This paper aims to study decomposition behavior in pyrolytic environment of four lignocellulosic biomass (oil palm shell, oil palm frond, rice husk and paddy straw), and two commercial components of biomass (pure cellulose and lignin), performed in a thermogravimetry analyzer (TGA). The unit which consists of a microbalance and a furnace flowed with 100 cc (STP) min-1 Nitrogen, N2 as inert. Heating rate was set at 20⁰C min-1 and temperature started from 50 to 900⁰C. Hydrogen gas production during the pyrolysis was observed using Agilent Gas Chromatography Analyzer 7890A. Oil palm shell, oil palm frond, paddy straw and rice husk were found to be reactive enough in a pyrolytic environment of up to 900°C since pyrolysis of these biomass starts at temperature as low as 200°C and maximum value of weight loss is achieved at about 500°C. Since there was not much different in the cellulose, hemicelluloses and lignin fractions between oil palm shell, oil palm frond, paddy straw and rice husk, the T-50 and R-50 values obtained are almost similar. H2 productions started rapidly at this temperature as well due to the decompositions of biomass inside the TGA. Biomass with more lignin content such as oil palm shell was found to have longer duration of H2 production compared to materials of high cellulose and hemicelluloses contents.

Rheological and Thermomechanical Properties of Graphene/ABS/PP Nanocomposites

In the present study, the incorporation of graphene into blends of acrylonitrile-butadiene-styrene terpolymer with polypropylene (ABS/PP) was investigated focusing on the improvement of their thermomechanical characteristics and the effect on their rheological behavior. The blends were prepared by melt mixing in a twin-screw extruder and were characterized by measuring the MFI as well as by performing DSC, TGA and mechanical tests. The addition of graphene to ABS/PP blends tends to increase their melt viscosity, due to the confinement of polymer chains motion. Also, graphene causes an increment of the crystallization temperature (Tc), especially in blends with higher PP content, because of the reduction of surface energy of PP nucleation, which is a consequence of the attachment of PP chains to the surface of graphene through the intermolecular CH-π interaction. Moreover, the above nanofiller improves the thermal stability of PP and increases the residue of thermal degradation at all the investigated compositions of blends, due to the thermal isolation effect and the mass transport barrier effect. Regarding the mechanical properties, the addition of graphene improves the elastic modulus, because of its intrinsic mechanical characteristics and its rigidity, and this effect is particularly strong in the case of pure PP.

Thermodynamic Study of Hot Potassium Carbonate Solution Using Aspen Plus

This paper presents a study on the thermodynamics and transport properties of hot potassium carbonate aqueous system (HPC) using electrolyte non-random two liquid, (ELECNRTL) model. The operation conditions are varied to determine the system liquid phase stability range at the standard and critical conditions. A case study involving 30 wt% K2CO3, H2O standard system at pressure of 1 bar and temperature range from 280.15 to 366.15 K has been studied. The estimated solubility index, viscosity, water activity, and density which obtained from the simulation showed a good agreement with the experimental work. Furthermore, the saturation temperature of the solution has been estimated.

Simulation of the Flow in a Packed-Bed with and without a Static Mixer by Using CFD Technique

The major focus of this work was to characterize hydrodynamics in a packed-bed with and without static mixer by using Computational Fluid Dynamic (CFD). The commercial software: COMSOL MULTIPHYSICSTM Version 3.3 was used to simulate flow fields of mixed-gas reactants i.e. CO and H2. The packed-bed was a single tube with the inside diameter of 0.8 cm and the length of 1.2 cm. The static mixer was inserted inside the tube. The number of twisting elements was 1 with 0.8 cm in diameter and 1.2 cm in length. The packed-bed with and without static mixer were both packed with approximately 700 spherical structures representing catalyst pellets. Incompressible Navier-Stokes equations were used to model the gas flow inside the beds at steady state condition, in which the inlet Reynolds Number (Re) was 2.31. The results revealed that, with the insertion of static mixer, the gas was forced to flow radially inward and outward between the central portion of the tube and the tube wall. This could help improving the overall performance of the packed-bed, which could be utilized for heterogeneous catalytic reaction such as reforming and Fischer- Tropsch reactions.

Arsenate Removal by Nano Zero-valent Iron in the Gas Bubbling System

This study focused on arsenate removal by nano zero-valent iron (NZVI) in the gas-bubbled aqueous solution. It appears that solution acidified by H2SO4 is far more favorable than by CO2-bubbled acidification. In addition, as dissolved oxygen was stripped out of solution by N2 gas bubbling, the arsenate removal dropped significantly. To take advantages of common practice of carbonation and oxic condition, pretreatment of CO2 and air bubbling in sequence are recommended for a better removal of arsenate.

Enhancement of Biogas Production from Bakery Waste by Pseudomonas aeruginosa

Production of biogas from bakery waste was enhanced by additional bacterial cell. This study was divided into 2 steps. First step, grease waste from bakery industry-s grease trap was initially degraded by Pseudomonas aeruginosa. The concentration of byproduct, especially glycerol, was determined and found that glycerol concentration increased from 12.83% to 48.10%. Secondary step, 3 biodigesters were set up in 3 different substrates: non-degraded waste as substrate in first biodigester, degraded waste as substrate in secondary biodigester, and degraded waste mixed with swine manure in ratio 1:1 as substrate in third biodigester. The highest concentration of biogas was found in third biodigester that was 44.33% of methane and 63.71% of carbon dioxide. The lower concentration at 24.90% of methane and 18.98% of carbon dioxide was exhibited in secondary biodigester whereas the lowest was found in non-degraded waste biodigester. It was demonstrated that the biogas production was greatly increased with the initial grease waste degradation by Pseudomonas aeruginosa.

Hydrodynamic Simulation of Fixed Bed GTL Reactor Using CFD

In this work, axisymetric CFD simulation of fixed bed GTL reactor has been conducted, using computational fluid dynamics (CFD). In fixed bed CFD modeling, when N (tube-to-particle diameter ratio) has a large value, it is common to consider the packed bed as a porous media. Synthesis gas (a mixture of predominantly carbon monoxide and hydrogen) was fed to the reactor. The reactor length was 20 cm, divided to three sections. The porous zone was in the middle section of the reactor. The model equations were solved employing finite volume method. The effects of particle diameter, bed voidage, fluid velocity and bed length on pressure drop have been investigated. Simulation results showed these parameters could have remarkable impacts on the reactor pressure drop.

Stereoselective Reduction of Amino Ketone with Sodium Borohydride in the Presence of Metal Chloride. A Simple Pathway to S-Propranolol

Propranolol is worldwide hypertension drug that is active in S-isomer. Patients must use this drug throughout their lives, and this action employsa significant level of expenditure. A simpler synthesis and lower cost can reduce the price for the patient. A sis pathway of S-propranolol starting from protection of (R,S)-propranolol with di-t-butyldicarbonate and then the product is oxidized with pyridiniumchlorochromate. The selective reduction of ketone occurrs with sodiumborohydride in the presence of metal chloride provided S-propranolol.

Combined Microwaves and Microreactors Plant

A pilot plant for continuous flow microwave-assisted chemical reaction combined with microreactors was developed and water heating tests were conducted for evaluation of the developed plant. We developed a microwave apparatus having a single microwave generator that can heat reaction solutions in four reaction fields simultaneously in order to increase throughput. We also designed a four-branch waveguide using electromagnetic simulation, and found that the transmission efficiency at 99%. Finally, we developed the pilot plant using the developed microwave apparatus and conducted water heating tests. The temperatures in the respective reaction fields were controlled within ±1.1 K at 353.2 K. Moreover, the energy absorption rates by the water were about 90% in the respective reaction fields, whereas the energy absorption rate was about 40% when 100 cm3 of water was heated by a commercially available multimode microwave chemical reactor.

Steady State Simulation and Experimental Study of an Ethane Recovery Unit in an Iranian Natural Gas Refinery

The production and consumption of natural gas is on the rise throughout the world as a result of its wide availability, ease of transportation, use and clean-burning characteristics. The chief use of ethane is in the chemical industry in the production of Ethene (ethylene) by steam cracking. In this simulation, obtained ethane recovery percent based on Gas sub-cooled process (GSP) is 99.9 by mole that is included 32.1% by using de-methanizer column and 67.8% by de-ethanizer tower. The outstanding feature of this process is the novel split-vapor concept that employs to generate reflux for de-methanizer column. Remain amount of ethane in export gas cause rise in gross heating value up to 36.66 MJ/Nm3 in order to use in industrial and household consumptions.

[Ti(OC4H9)4/2,5-Dimethoxytetrahydrofuran/ TEA/Ethylene Chlorobromide] as a Novel Homogeneous Catalyst System Effective for the Ethylene Dimerization Reaction

In the present research, the titanium-catalyzed ethylene dimerization and more specifically, the concomitant byproducts and polymer formation have been studied in the presence of 2,5-dimethoxytetrahydrofuran as an electron donor compound in the combination with triethylaluminium (TEA) as activator. Then, we added ethylene chlorobromide as a new efficient promoter to the relevant catalyst system. Finally, the behavior of novel homogeneous [Titanium tetrabutoxide (Ti(OC4H9)4)/2,5-dimethoxytetrahydrofuran/ TEA/ethylene chlorobromide] was investigated in the various operating conditions for the optimum production of 1-butene. In the optimum conditions, a very high ethylene conversion (almost 90.77 %), a relative high selectivity to 1-butene (79.00 %), yield of reaction equal to 71.70 % and a significant productivity (turnover frequency equal to 1370 h-1) were achieved.

Mass Transfer Modeling in a Packed Bed of Palm Kernels under Supercritical Conditions

Studies on gas solid mass transfer using Supercritical fluid CO2 (SC-CO2) in a packed bed of palm kernels was investigated at operating conditions of temperature 50 °C and 70 °C and pressures ranges from 27.6 MPa, 34.5 MPa, 41.4 MPa and 48.3 MPa. The development of mass transfer models requires knowledge of three properties: the diffusion coefficient of the solute, the viscosity and density of the Supercritical fluids (SCF). Matematical model with respect to the dimensionless number of Sherwood (Sh), Schmidt (Sc) and Reynolds (Re) was developed. It was found that the model developed was found to be in good agreement with the experimental data within the system studied.

A Study of the Variables in the Optimisation of a Platinum Precipitation Process

This study investigated possible ways to improve the efficiency of the platinum precipitation process using ammonium chloride by reducing the platinum content reporting to the effluent. The ore treated consist of five platinum group metals namely, ruthenium, rhodium, iridium, platinum, palladium and a precious metal gold. Gold, ruthenium, rhodium and iridium were extracted prior the platinum precipitation process. Temperature, reducing agent, flow rate and potential difference were the variables controlled to determine the operation conditions for optimum platinum precipitation efficiency. Hydrogen peroxide was added as the oxidizing agent at the temperature of 85-90oC and potential difference of 700-850mV was the variable used to check the oxidizing state of platinum. The platinum was further purified at temperature between 60-65oC, potential difference above 700 mV, ammonium chloride of 200 l, and at these conditions the platinum content reporting to the effluent was reduced to less than 300ppm, resulting in optimum platinum precipitation efficiency and purity of 99.9%.

Phase Behaviors and Fuel Properties of Bio-Oil-Diesel-Alcohol Blends

Attempt was made to improve certain characteristics of bio-oil derived from palm kernel pyrolysis by blending it with diesel fuel and alcohols. Two types of alcohol, ethanol or butanol, was used as cosolvent to stabilize the phase of ternary systems. Phase behaviors and basic fuel properties of palm kernel bio-oildiesel- alcohol systems were investigated in this study. Alcohol types showed a significant influence on the phase characteristics with palm kernel bio-oil-diesel-butanol system giving larger soluble area than that of palm kernel bio-oil-diesel-ethanol system. For fuel properties, blended fuels showed superior properties including lower values of density (~860 kg/m3 at 25°C), viscosity (~4.12 mm2/s at 40°C), carbon residue (1.02-2.53 wt%), ash (0.018-0.034 wt%) and pour point (

Synthesis and Reactions of Sulphone Hydrazides

The chemistry of sulphone hydrazide has gained increase interest in both synthetic organic chemistry and biological fields and has considerable value. The therapeutic importance of these compounds is the attractive force to continue research in such a point. The present review covers the literature up to date for the synthesis, reactions and applications of such compounds.

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

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.