Abstract: 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.
Abstract: 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 Conventional thermal catalytic reactors have been proposed to be superseded by plasma reactors as a promising approach, due to strength of the electrical energy which can break C-H bonds of methane.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.
Abstract: 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.
Abstract: 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.
Abstract: 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.
Abstract: 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.
Abstract: 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.
Abstract: 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.
Abstract: 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.
Abstract: 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.
Abstract: 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.
Abstract: 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.
Abstract: 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.
Abstract: 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.
Abstract: 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.
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.
Abstract: 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
Abstract: 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.
Abstract: 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.
Abstract: 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.