Interface Location in Single Phase Stirred Tanks

In this work, study the location of interface in a stirred vessel with Rushton impeller by computational fluid dynamic was presented. To modeling rotating the impeller, sliding mesh (SM) technique was used and standard k-ε model was selected for turbulence closure. Mean tangential, radial and axial velocities and also turbulent kinetic energy (k) and turbulent dissipation rate (ε) in various points of tank was investigated. Results show sensitivity of system to location of interface and radius of 7 to 10cm for interface in the vessel with existence characteristics cause to increase the accuracy of simulation.

A Review of Methanol Production from Methane Oxidation via Non-Thermal Plasma Reactor

Direct conversion of methane to methanol by partial oxidation in a thermal reactor has a poor yield of about 2% which is less than the expected economical yield of about 10%. Conventional thermal catalytic reactors have been proposed to be superseded by plasma reactors as a promising approach, due to strength of the electrical energy which can break C-H bonds of methane. Among the plasma techniques, non-thermal dielectric barrier discharge (DBD) plasma chemical process is one of the most future promising technologies in synthesizing methanol. The purpose of this paper is presenting a brief review of CH4 oxidation with O2 in DBD plasma reactors based on the recent investigations. For this reason, the effect of various parameters of reactor configuration, feed ratio, applied voltage, residence time (gas flow rate), type of applied catalyst, pressure and reactor wall temperature on methane conversion and methanol selectivity are discussed.

Optimization of Petroleum Refinery Configuration Design with Logic Propositions

This work concerns the topological optimization problem for determining the optimal petroleum refinery configuration. We are interested in further investigating and hopefully advancing the existing optimization approaches and strategies employing logic propositions to conceptual process synthesis problems. In particular, we seek to contribute to this increasingly exciting area of chemical process modeling by addressing the following potentially important issues: (a) how the formulation of design specifications in a mixed-logical-and-integer optimization model can be employed in a synthesis problem to enrich the problem representation by incorporating past design experience, engineering knowledge, and heuristics; and (b) how structural specifications on the interconnectivity relationships by space (states) and by function (tasks) in a superstructure should be properly formulated within a mixed-integer linear programming (MILP) model. The proposed modeling technique is illustrated on a case study involving the alternative processing routes of naphtha, in which significant improvement in the solution quality is obtained.

Simulation of Enhanced Biomass Gasification for Hydrogen Production using iCON

Due to the environmental and price issues of current energy crisis, scientists and technologists around the globe are intensively searching for new environmentally less-impact form of clean energy that will reduce the high dependency on fossil fuel. Particularly hydrogen can be produced from biomass via thermochemical processes including pyrolysis and gasification due to the economic advantage and can be further enhanced through in-situ carbon dioxide removal using calcium oxide. This work focuses on the synthesis and development of the flowsheet for the enhanced biomass gasification process in PETRONAS-s iCON process simulation software. This hydrogen prediction model is conducted at operating temperature between 600 to 1000oC at atmospheric pressure. Effects of temperature, steam-to-biomass ratio and adsorbent-to-biomass ratio were studied and 0.85 mol fraction of hydrogen is predicted in the product gas. Comparisons of the results are also made with experimental data from literature. The preliminary economic potential of developed system is RM 12.57 x 106 which equivalent to USD 3.77 x 106 annually shows economic viability of this process.

Towards CO2 Adsorption Enhancement via Polyethyleneimine Impregnation

To reduce the carbon dioxide emission into the atmosphere, adsorption is believed to be one of the most attractive methods for post-combustion treatment of flue gas. In this work, activated carbon (AC) was modified by polyethylenimine (PEI) via impregnation in order to enhance CO2 adsorption capacity. The adsorbents were produced at 0.04, 0.16, 0.22, 0.25, and 0.28 wt% PEI/AC. The adsorption was carried out at a temperature range from 30 °C to 75 °C and five different gas pressures up to 1 atm. TG-DTA, FT-IR, UV-visible spectrometer, and BET were used to characterize the adsorbents. Effects of PEI loading on the AC for the CO2 adsorption were investigated. Effectiveness of the adsorbents on the CO2 adsorption including CO2 adsorption capacity and adsorption temperature was also investigated. Adsorption capacities of CO2 were enhanced with the increase in the amount of PEI from 0.04 to 0.22 wt% PEI before the capacities decreased onwards from0.25 wt% PEI at 30 °C. The 0.22 wt% PEI/AC showed higher adsorption capacity than the AC for adsorption at 50 °C to 75 °C.

Microbial Leaching Process to Recover Valuable Metals from Spent Petroleum Catalyst Using Iron Oxidizing Bacteria

Spent petroleum catalyst from Korean petrochemical industry contains trace amount of metals such as Ni, V and Mo. Therefore an attempt was made to recover those trace metal using bioleaching process. Different leaching parameters such as Fe(II) concentration, pulp density, pH, temperature and particle size of spent catalyst particle were studied to evaluate their effects on the leaching efficiency. All the three metal ions like Ni, V and Mo followed dual kinetics, i.e., initial faster followed by slower rate. The percentage of leaching efficiency of Ni and V were higher than Mo. The leaching process followed a diffusion controlled model and the product layer was observed to be impervious due to formation of ammonium jarosite (NH4)Fe3(SO4)2(OH)6. In addition, the lower leaching efficiency of Mo was observed due to a hydrophobic coating of elemental sulfur over Mo matrix in the spent catalyst.

Biomass and Pigment Production by Monascus during Miniaturized Submerged Culture on Adlay

Three reactor types were explored and successfully used for pigment production by Monascus: shake flasks, and shaken and stirred miniaturized reactors. Also, the use of dielectric spectroscopy for the on-line measurement of biomass levels was explored. Shake flasks gave good pigment yields, but scale up is difficult, and they cannot be automated. Shaken bioreactors were less successful with pigment production than stirred reactors. Experiments with different impeller speeds in different volumes of liquid in the reactor confirmed that this is most likely due oxygen availability. The availability of oxygen appeared to affect biomass levels less than pigment production; red pigment production in particular needed very high oxygen levels. Dielectric spectroscopy was effectively used to continuously measure biomass levels during the submerged fungal fermentation in the shaken and stirred miniaturized bioreactors, despite the presence of the solid substrate particles. Also, the capacitance signal gave useful information about the viability of the cells in the culture.

Investigating Different Options for Reheating the First Converter Inlet Stream of Sulfur Recovery Units (SRUs)

The modified Claus process is the major technology for the recovery of elemental sulfur from hydrogen sulfide. The chemical reactions that can occur in the reaction furnace are numerous and many byproducts such as carbon disulfide and carbon carbonyl sulfide are produced. These compounds can often contribute from 20 to 50% of the pollutants and therefore, should be hydrolyzed in the catalytic converter. The inlet temperature of the first catalytic reactor should be maintained over than 250 °C, to hydrolyze COS and CS2. In this paper, the various configurations for the first converter reheating of sulfur recovery unit are investigated. As a result, the performance of each method is presented for a typical clause unit. The results show that the hot gas method seems to be better than the other methods.

Effects of Operating Conditions on Calcium Carbonate Fouling in a Plate Heat Exchanger

The aim of this work is to investigate on the internalflow patterns in a plate heat exchanger channel, which affect the rate of sedimentation fouling on the heat transfer surface of the plate heat exchanger. The research methodologies were the computer simulation using Computational Fluid Dynamics (CFD) and the experimental works. COMSOL MULTIPHYSICS™ Version 3.3 was used to simulate the velocity flow fields to verify the low and high flow regions. The results from the CFD technique were then compared with the images obtained from the experiments in which the fouling test rig was set up with a singlechannel plate heat exchanger to monitor the fouling of calcium carbonate. Two parameters were varied i.e., the crossing angle of the two plate: 55/55, 10/10, and 55/10 degree, and the fluid flow rate at the inlet: 0.0566, 0.1132 and 0.1698 m/s. The type of plate “GX-12" (the surface area 0.12 m2, the depth 2.9 mm, the width of fluid flow 215 mm and the thickness of stainless plate of 0.5 mm) was used in this study. The results indicated that the velocity distribution for the case of 55/55 degree seems to be very well organized when compared with the others. Also, an increase in the inlet velocity resulted in the reduction of fouling rate on the surface of plate heat exchangers.

Catalytic Decomposition of Potassium Monopersulfate. Influence of Variables

Potassium monopersulfate has been decomposed in aqueous solution in the presence of Co(II). The effect of the main operating variables has been assessed. Minimum variations in pH exert a considerable influence on the process kinetics. Thus, when no pH adjustment is considered, the actual effect of variables like initial monopersulfate and/or catalyst concentration may be hindered. As expected, temperature enhances the monopersulfate decomposition rate by following the Arrhenius law. The activation energy in the proximity of 85 kJ/mol has been obtained. Amongst the different solids tested in the monopersulfate decomposition, only the perovskite LaTi0.15Cu0.85O3 has shown a significant catalytic activity.

Effect of Relative Permeability on Well Testing Behavior of Naturally Fractured Lean Gas Condensate Reservoirs

Gas condensate Reservoirs show complicated thermodynamic behavior when their pressure reduces to under dew point pressure. Condensate blockage around the producing well cause significant reduction of production rate as well bottom-hole pressure drops below saturation pressure. The main objective of this work was to examine the well test analysis of naturally fractured lean gas condensate reservoir and investigate the effect of condensate formed around the well-bore on behavior of single phase pseudo pressure and its derivative curves. In this work a naturally fractured lean gas condensate reservoir is simulated with compositional simulator. Different sensitivity analysis done on Corry parameters and result of simulator is feed to analytical well testing software. For consideration of these phenomena eighteen compositional models with Capillary number effect are constructed. Matrix relative permeability obeys Corry relative permeability and relative permeability in fracture is linear. Well testing behavior of these models are studied and interpreted. Results show different sensitivity analysis on relative permeability of matrix does not have strong effect on well testing behavior even most part of the matrix around the well is occupied with condensate.

Equilibrium and Rate Based Simulation of MTBE Reactive Distillation Column

Equilibrium and rate based models have been applied in the simulation of methyl tertiary-butyl ether (MTBE) synthesis through reactive distillation. Temperature and composition profiles were compared for both the models and found that both the profiles trends, though qualitatively similar are significantly different quantitatively. In the rate based method (RBM), multicomponent mass transfer coefficients have been incorporated to describe interphase mass transfer. MTBE mole fraction in the bottom stream is found to be 0.9914 in the Equilibrium Model (EQM) and only 0.9904 for RBM when the same column configuration was preserved. The individual tray efficiencies were incorporated in the EQM and simulations were carried out. Dynamic simulation have been also carried out for the two column configurations and compared.

Viscosity of Vegetable Oils and Biodiesel and Energy Generation

The present work describes an experimental investigation concerning the determination of viscosity behavior with shear rate and temperature of edible oils: canola; sunflower; corn; soybean and the no edible oil: Jatropha curcas. Besides these, it was tested a blend of canola, corn and sunflower oils as well as sunflower and soybean biodiesel. Based on experiments, it was obtained shear stress and viscosity at different shear rates of each sample at 40ºC, as well as viscosity of each sample at various temperatures in the range of 24 to 85ºC. Furthermore, it was compared the curves obtained for the viscosity versus temperature with the curves obtained by modeling the viscosity dependency on temperature using the Vogel equation. Also a test in a stationary engine was performed in order to study the energy generation using blends of soybean oil and soybean biodiesel with diesel.

Experimental Investigation of Vessel Volume and Equivalence Ratio in Vented Gas

An experiment of vented gas explosions involving two different cylinder vessel volumes (0.2 and 0.0065 m3) was reported, with equivalence ratio (Φ) ranged from 0.3 to 1.6. Both vessels were closed at the rear end and fitted at the other side with a circular orifice plate that gives a constant vent coefficient (K =Av/V2/3) of 16.4. It was shown that end ignition gives higher overpressures than central ignition, even though most of the published work on venting uses central ignition. For propane and ethylene, it is found that rich mixtures gave the highest overpressures and these mixtures are not considered in current vent design guidance; which the guideline is based on mixtures giving the maximum flame temperature. A strong influence of the vessel volume at constant K was found for methane, propane, ethylene and hydrogen-air explosions. It can be concluded that self- acceleration of the flame, which is dependent on the distance of a flame from the ignition and the ‘suction’ at the vent opening are significant factors affecting the vent flow during explosion development in vented gas explosion. This additional volume influence on vented explosions is not taken into account in the current vent design guidance.

Growth Effects of Caffeic Acid and Thioglycolic Acid Modified Chitosans in U937 Cells

Chitosan is a biopolymer composed of glucosamine and N-acetyl glucosamine. Solubility and viscosity pose problems in some applications. These problems can be overcome with unique modifications. In this study, firstly, chitosan was modified by caffeic acid and thioglycolic acid, separately. Then, growing effects of these modified polymers was observed in U937 cell line. Caffeic acid is a phenolic compound and its modifications act carcinogenic inhibitors in drugs. Thiolated chitosans are commonly being used for drugdelivery systems in various routes, because of enhancing mucoadhesiveness property. U937 cell line was used model cell for leukaemia. Modifications were achieved by 1 – 15 % binding range. Increasing binding ratios showed higher radical-scavenging activity and reducing cell growth, in compared to native chitosan. Caffeic acid modifications showed higher radical-scavenging activity than thiolated chitosans at the same concentrations. Caffeic acid and thioglycolic acid modifications inhibited growth of U937, effectively.

Deriving Causal Explanation from Qualitative Model Reasoning

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.

Investigating the Effect of Uncertainty on a LP Model of a Petrochemical Complex: Stability Analysis Approach

This study discusses the effect of uncertainty on production levels of a petrochemical complex. Uncertainly or variations in some model parameters, such as prices, supply and demand of materials, can affect the optimality or the efficiency of any chemical process. For any petrochemical complex with many plants, there are many sources of uncertainty and frequent variations which require more attention. Many optimization approaches are proposed in the literature to incorporate uncertainty within the model in order to obtain a robust solution. In this work, a stability analysis approach is applied to a deterministic LP model of a petrochemical complex consists of ten plants to investigate the effect of such variations on the obtained optimal production levels. The proposed approach can determinate the allowable variation ranges of some parameters, mainly objective or RHS coefficients, before the system lose its optimality. Parameters with relatively narrow range of variations, i.e. stability limits, are classified as sensitive parameters or constraints that need accurate estimate or intensive monitoring. These stability limits offer easy-to-use information to the decision maker and help in understanding the interaction between some model parameters and deciding when the system need to be re-optimize. The study shows that maximum production of ethylene and the prices of intermediate products are the most sensitive factors that affect the stability of the optimum solution

Phase Equilibrium of Volatile Organic Compounds in Polymeric Solvents Using Group Contribution Methods

Group contribution methods such as the UNIFAC are of major interest to researchers and engineers involved synthesis, feasibility studies, design and optimization of separation processes as well as other applications of industrial use. Reliable knowledge of the phase equilibrium behavior is crucial for the prediction of the fate of the chemical in the environment and other applications. The objective of this study was to predict the solubility of selected volatile organic compounds (VOCs) in glycol polymers and biodiesel. Measurements can be expensive and time consuming, hence the need for thermodynamic models. The results obtained in this study for the infinite dilution activity coefficients compare very well those published in literature obtained through measurements. It is suggested that in preliminary design or feasibility studies of absorption systems for the abatement of volatile organic compounds, prediction procedures should be implemented while accurate fluid phase equilibrium data should be obtained from experiment.

Hydrothermal Synthesis of ZnO/SnO2 Nanoparticles with High Photocatalytic Activity

The paper reports the preparation and photocatalytic activity of ZnO/SnO2 and SnO2 nanoparticles. These nanoparticles were synthesized by hydrothermal method. The products were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM). Their grain sizes are about 50-100 nm. The photocatalytic activities of these materials were investigated for congo red removal from aqueous solution under UV light irradiation. It was shown that the use of ZnO/SnO2 as photocatalyst have better photocatalytic activity for degradation of congo red than SnO2 or TiO2 (anatase, particle size: 30nm) alone.

Adjusting the Furnace and Converter Temperature of the Sulfur Recovery Units

The modified Claus process is commonly used in oil refining and gas processing to recover sulfur and destroy contaminants formed in upstream processing. A Claus furnace feed containing a relatively low concentration of H2S may be incapable of producing a stable flame. Also, incomplete combustion of hydrocarbons in the feed can lead to deterioration of the catalyst in the reactors due to soot or carbon deposition. Therefore, special consideration is necessary to achieve the appropriate overall sulfur recovery. In this paper, some configurations available to treat lean acid gas streams are described and the most appropriate ones are studied to overcome low H2S concentration problems. As a result, overall sulfur recovery is investigated for feed preheating and hot gas configurations.