Abstract: A high-performance Monte Carlo simulation, which
simultaneously takes diffusion-controlled and chain-length-dependent
bimolecular termination reactions into account, is developed to
simulate atom transfer radical copolymerization of styrene and nbutyl
acrylate. As expected, increasing initial feed fraction of styrene
raises the fraction of styrene-styrene dyads (fAA) and reduces that of
n-butyl acrylate dyads (fBB). The trend of variation in randomness
parameter (fAB) during the copolymerization also varies significantly.
Also, there is a drift in copolymer heterogeneity and the highest drift
occurs in the initial feeds containing lower percentages of styrene, i.e.
20% and 5%.
Abstract: Group contribution methods such as the UNIFAC are
very useful to researchers and engineers involved in synthesis,
feasibility studies, design and optimization of separation processes.
They can be applied successfully to predict phase equilibrium and
excess properties in the development of chemical and separation
processes. The main focus of this work was to investigate the
possibility of absorbing selected volatile organic compounds (VOCs)
into polydimethylsiloxane (PDMS) using three selected UNIFAC
group contribution methods. Absorption followed by subsequent
stripping is the predominant available abatement technology of
VOCs from flue gases prior to their release into the atmosphere. The
original, modified and effective UNIFAC models were used in this
work. The thirteen selected VOCs that have been considered in this
research are: pentane, hexane, heptanes, trimethylamine, toluene,
xylene, cyclohexane, butyl acetate, diethyl acetate, chloroform,
acetone, ethyl methyl ketone and isobutyl methyl ketone. The
computation was done for solute VOC concentration of 8.55x10-8
which is well in the infinite dilution region. The results obtained in
this study compare very well with those published in literature
obtained through both measurements and predictions. The phase
equilibrium obtained in this study show that PDMS is a good
absorbent for the removal of VOCs from contaminated air streams
through physical absorption.
Abstract: Polymer-like organic thin films were deposited on both
aluminum alloy type 6061 and glass substrates at room temperature by
Plasma Enhanced Chemical Vapor Deposition (PECVD) methodusing
benzene and hexamethyldisiloxane (HMDSO) as precursor materials.
The surface and physical properties of plasma-polymerized organic
thin films were investigated at different r.f. powers. The effects of
benzene/argon ratio on the properties of plasma polymerized benzene
films were also investigated. It is found that using benzene alone
results in a non-coherent and non-adherent powdery deposited
material. The chemical structure and surface properties of the asgrown
plasma polymerized thin films were analyzed on glass
substrates with FTIR and contact angle measurements. FTIR spectra
of benzene deposited film indicated that the benzene rings are
preserved when increasing benzene ratio and/or decreasing r.f.
powers. FTIR spectra of HMDSO deposited films indicated an
increase of the hydrogen concentration and a decrease of the oxygen
concentration with the increase of r.f. power. The contact angle (θ) of
the films prepared from benzene was found to increase by about 43%
as benzene ratio increases from 10% to 20%. θ was then found to
decrease to the original value (51°) when the benzene ratio increases
to 100%. The contact angle, θ, for both benzene and HMDSO
deposited films were found to increase with r.f. power. This signifies
that the plasma polymerized organic films have substantially low
surface energy as the r.f power increases. The corrosion resistance of
aluminum alloy substrate both bare and covered with plasma
polymerized thin films was carried out by potentiodynamic
polarization measurements in standard 3.5 wt. % NaCl solution at
room temperature. The results indicate that the benzene and HMDSO
deposited films are suitable for protection of the aluminum substrate
against corrosion. The changes in the processing parameters seem to
have a strong influence on the film protective ability. Surface
roughness of films deposited on aluminum alloy substrate was
investigated using scanning electron microscopy (SEM). The SEM
images indicate that the surface roughness of benzene deposited films
increase with decreasing the benzene ratio. SEM images of benzene
and HMDSO deposited films indicate that the surface roughness
decreases with increasing r.f. power. Studying the above parameters
indicate that the films produced are suitable for specific practical
applications.
Abstract: As application of re-activation of backside on power
device Insulated Gate Bipolar Transistor (IGBT), laser annealing was
employed to irradiate amorphous silicon substrate, and resistivities
were measured using four point probe measurement. For annealing
the amorphous silicon two lasers were used at wavelength of visible
green (532 nm) together with Infrared (793 nm). While the green
laser efficiently increased temperature at top surface the Infrared
laser reached more deep inside and was effective for melting the
top surface. A finite element method was employed to evaluate time
dependent thermal distribution in silicon substrate.
Abstract: A simple approach is demonstrated for growing large
scale, nearly vertically aligned ZnO nanowire arrays by thermal
oxidation method. To reveal effect of temperature on growth and
physical properties of the ZnO nanowires, gold coated zinc substrates
were annealed at 300 °C and 400 °C for 4 hours duration in air. Xray
diffraction patterns of annealed samples indicated a set of well
defined diffraction peaks, indexed to the wurtzite hexagonal phase of
ZnO. The scanning electron microscopy studies show formation of
ZnO nanowires having length of several microns and average of
diameter less than 500 nm. It is found that the areal density of wires
is relatively higher, when the annealing is carried out at higher
temperature i.e. at 400°C. From the field emission studies, the values
of the turn-on and threshold field, required to draw emission current
density of 10 μA/cm2 and 100 μA/cm2 are observed to be 1.2 V/μm
and 1.7 V/μm for the samples annealed at 300 °C and 2.9 V/μm and
3.7 V/μm for that annealed at 400 °C, respectively. The field
emission current stability, investigated over duration of more than 2
hours at the preset value of 1 μA, is found to be fairly good in both
cases. The simplicity of the synthesis route coupled with the
promising field emission properties offer unprecedented advantage
for the use of ZnO field emitters for high current density
applications.
Abstract: Platinum oxide nanoparticles were prepared by a
simple hydrothermal route and chemical reduction using
carbohydrates (Fructose and sucrose) as the reducing and
stabilizing agents. The crystallite size of these nanoparticles was
evaluated from X-ray diffraction (XRD), atomic force microscopy
(AFM) and transmission electron microscopy (TEM) and was
found to be 10 nm as shown in figure 1, which is the
demonstration of EM bright field and transmission electron
microscopy. The effect of carbohydrates on the morphology of the
nanoparticles was studied using TEM (Figure 1). The
nanoparticles (100 μg/ml) were administered to the Pseudomonas
Stutzeri and Lactobacillus cultures and the incubation was done at
35 oC for 24 hours. The nanocomposites exhibited interesting
inhibitory as well as bactericidal activity against P. Stutzeri and
and Lactobacillus species. Incorporation of nanoparticles also
increased the thermal stability of the carbohydrates.
Abstract: The effect of dry milling on the carbothermic
reduction of celestite was investigated. Mixtures of celestite
concentrate (98% SrSO4) and activated carbon (99% carbon) was
milled for 1 and 24 hours in a planetary ball mill. Un-milled and
milled mixtures and their products after carbothermic reduction were
studied by a combination of XRD and TGA/DTA experiments. The
thermogravimetric analyses and XRD results showed that by milling
celestite-carbon mixtures for one hour, the formation temperature of
strontium sulfide decreased from about 720°C (in un-milled sample)
to about 600°C, after 24 hours milling it decreased to 530°C. It was
concluded that milling induces increasingly thorough mixing of the
reactants to reduction occurring at lower temperatures
Abstract: Efficient and safe plant operation can only be
achieved if the operators are able to monitor all key process
parameters. Instrumentation is used to measure many process
variables, like temperatures, pressures, flow rates, compositions or
other product properties. Therefore Performance monitoring is a
suitable tool for operators. In this paper, we integrate rigorous
simulation model, data reconciliation and parameter estimation to
monitor process equipments and determine key performance
indicator (KPI) of them. The applied method here has been
implemented in two case studies.
Abstract: This work considered the thermodynamic feasibility
of scrubbing volatile organic compounds into biodiesel in view of
designing a gas treatment process with this absorbent. A detailed
vapour – liquid equilibrium investigation was performed using the
original UNIFAC group contribution method. The four biodiesels
studied in this work are methyl oleate, methyl palmitate, methyl
linolenate and ethyl stearate. The original UNIFAC procedure was
used to estimate the infinite dilution activity coefficients of 13
selected volatile organic compounds in the biodiesels. The
calculations were done at the VOC mole fraction of 9.213x10-8. Ethyl
stearate gave the most favourable phase equilibrium. A close
agreement was found between the infinite dilution activity coefficient
of toluene found in this work and those reported in literature.
Thermodynamic models can efficiently be used to calculate vast
amount of phase equilibrium behaviour using limited number of
experimental data.
Abstract: There are several means to measure the oxidation of edible oils, such as the acid value, the peroxide value, and the anisidine value. However, these means require large quantities of reagents and are time-consuming tasks. Therefore, a more convenient and time-saving way to measure the oxidation of edible oils is required. In this report, an edible oil condition sensor was fabricated by using single-walled nanotubes (SWNT). In order to test the sensor, oxidized edible oils, each one at a different acid value, were prepared. The SWNT sensors were immersed into these oxidized oils and the resistance changes in the sensors were measured. It was found that the conductivity of the sensors decreased as the oxidation level of oil increased. This result suggests that a change of the oil components induced by the oxidation process in edible oils is related to the conductivity change in the SWNT sensor.
Abstract: Mercury is a natural occurring element and present in
various concentrations in the environment. Due to its toxic effects, it
is desirable to research mercury sensitive materials to adsorb
mercury. This paper describes the preparation of Au nanoparticles for
mercury adsorption by using a microwave (MW)-polyol method in
the presence of three different Sodium Chloride (NaCl)
concentrations (10, 20 and 30 mM). Mixtures of spherical, triangular,
octahedral, decahedral particles and 1-D product were obtained using
this rapid method. Sizes and shapes was found strongly depend on the
concentrations of NaCl. Without NaCl concentration, spherical,
triangular plates, octahedral, decahedral nanoparticles and 1D
product were produced. At the lower NaCl concentration (10 mM),
spherical, octahedral and decahedral nanoparticles were present,
while spherical and decahedral nanoparticles were preferentially form
by using 20 mM of NaCl concentration. Spherical, triangular plates,
octahedral and decahedral nanoparticles were obtained at the highest
NaCl concentration (30 mM). The amount of mercury adsorbed using
20 ppm mercury solution is the highest (67.5 %) for NaCl
concentration of 30 mM. The high yield of polygonal particles will
increase the mercury adsorption. In addition, the adsorption of
mercury is also due to the sizes of the particles. The sizes of particles
become smaller with increasing NaCl concentrations (size ranges, 5-
16 nm) than those synthesized without addition of NaCl (size ranges
11-32 nm). It is concluded that NaCl concentrations affects the
formation of sizes and shapes of Au nanoparticles thus affects the
mercury adsorption.
Abstract: In the Lost Foam Casting process, melting point
temperature of metal, as well as volume and rate of the foam
degradation have significant effect on the mold filling pattern.
Therefore, gas generation capacity and gas gap length are two
important parameters for modeling of mold filling time of the lost
foam casting processes. In this paper, the gas gap length at the liquidfoam
interface for a low melting point (aluminum) alloy and a high
melting point (Carbon-steel) alloy are investigated by the
photography technique. Results of the photography technique
indicated, that the gas gap length and the mold filling time are
increased with increased coating thickness and density of the foam.
The Gas gap lengths measured in aluminum and Carbon-steel,
depend on the foam density, and were approximately 4-5 and 25-60
mm, respectively. By using a new system, the gas generation
capacity for the aluminum and steel was measured. The gas
generation capacity measurements indicated that gas generation in
the Aluminum and Carbon-steel lost foam casting was about 50 CC/g
and 3200 CC/g polystyrene, respectively.
Abstract: Titanium nitride (TiN) has been synthesized using the
sheet plasma negative ion source (SPNIS). The parameters used for
its effective synthesis has been determined from previous
experiments and studies. In this study, further enhancement of the
deposition rate of TiN synthesis and advancement of the SPNIS
operation is presented. This is primarily achieved by the addition of
Sm-Co permanent magnets and a modification of the configuration in
the TiN deposition process. The magnetic enhancement is aimed at
optimizing the sputtering rate and the sputtering yield of the process.
The Sm-Co permanent magnets are placed below the Ti target for
better sputtering by argon. The Ti target is biased from –250V to –
350V and is sputtered by Ar plasma produced at discharge current of
2.5–4A and discharge potential of 60–90V. Steel substrates of
dimensions 20x20x0.5mm3 were prepared with N2:Ar volumetric
ratios of 1:3, 1:5 and 1:10. Ocular inspection of samples exhibit
bright gold color associated with TiN. XRD characterization
confirmed the effective TiN synthesis as all samples exhibit the (200)
and (311) peaks of TiN and the non-stoichiometric Ti2N (220) facet.
Cross-sectional SEM results showed increase in the TiN deposition
rate of up to 0.35μm/min. This doubles what was previously obtained
[1]. Scanning electron micrograph results give a comparative
morphological picture of the samples. Vickers hardness results gave
the largest hardness value of 21.094GPa.
Abstract: Chemical detection is still a continuous challenge when
it comes to designing single-walled carbon nanotube (SWCNT)
sensors with high selectivity, especially in complex chemical
environments. A perfect example of such an environment would be in
thermally oxidized soybean oil. At elevated temperatures, oil oxidizes
through a series of chemical reactions which results in the formation of
monoacylglycerols, diacylglycerols, oxidized triacylglycerols, dimers,
trimers, polymers, free fatty acids, ketones, aldehydes, alcohols,
esters, and other minor products. In order to detect the rancidity of
oxidized soybean oil, carbon nanotube chemiresistor sensors have
been coated with polyethylenimine (PEI) to enhance the sensitivity
and selectivity. PEI functionalized SWCNTs are known to have a high
selectivity towards strong electron withdrawing molecules. The
sensors were very responsive to different oil oxidation levels and
furthermore, displayed a rapid recovery in ambient air without the
need of heating or UV exposure.
Abstract: The present paper discusses the selection of process
parameters for obtaining optimal nanocrystallites size in the CuOZrO2
catalyst. There are some parameters changing the inorganic
structure which have an influence on the role of hydrolysis and
condensation reaction. A statistical design test method is
implemented in order to optimize the experimental conditions of
CuO-ZrO2 nanoparticles preparation. This method is applied for the
experiments and L16 orthogonal array standard. The crystallites size
is considered as an index. This index will be used for the analysis in
the condition where the parameters vary. The effect of pH, H2O/
precursor molar ratio (R), time and temperature of calcination,
chelating agent and alcohol volume are particularity investigated
among all other parameters. In accordance with the results of
Taguchi, it is found that temperature has the greatest impact on the
particle size. The pH and H2O/ precursor molar ratio have low
influences as compared with temperature. The alcohol volume as
well as the time has almost no effect as compared with all other
parameters. Temperature also has an influence on the morphology
and amorphous structure of zirconia. The optimal conditions are
determined by using Taguchi method. The nanocatalyst is studied by
DTA-TG, XRD, EDS, SEM and TEM. The results of this research
indicate that it is possible to vary the structure, morphology and
properties of the sol-gel by controlling the above-mentioned
parameters.
Abstract: Highly ordered TiO2 nanotube (TNT) arrays were
fabricated onto a pre-treated titanium foil by anodic oxidation with a
voltage of 20V in phosphoric acid/sodium fluoride electrolyte. A pretreatment
of titanium foil involved washing with acetone,
isopropanol, ethanol and deionized water. Carbon doped TiO2
nanotubes (C-TNT) was fabricated 'in-situ' with the same method in
the presence of polyvinyl alcohol and urea as carbon sources. The
affects of polyvinyl alcohol concentration and oxidation time on the
composition, morphology and structure of the C-TN were studied by
FE-SEM, EDX and XRD techniques. FESEM images of the
nanotubes showed uniform arrays of C-TNTs. The density and
microstructures of the nanotubes were greatly affected by the content
of PVA. The introduction of the polyvinyl alcohol into the electrolyte
increases the amount of C content inside TiO2 nanotube arrays
uniformly. The influence of carbon content on the photo-current of
C-TNT was investigated and the I-V profiles of the nanotubes were
established. The preliminary results indicated that the 'in-situ'
doping technique produced a superior quality nanotubes compared to
post doping techniques.
Abstract: The photoluminescence (PL) at 1.55 μm from
semiconducting β-FeSi2 has attracted a noticeable interest for
silicon-based optoelectronic applications. Moreover, its high optical
absorption coefficient (higher than 105 cm-1 above 1.0 eV) allows this
semiconducting material to be used as photovoltanics devices.
A clear PL spectrum for β-FeSi2 was observed by Cu or Au coating
on Si(001). High-crystal-quality β-FeSi2 with a low-level nonradiative
center was formed on a Cu- or Au- reated Si layer. This method of
deposition can be applied to other materials requiring high crystal
quality.
Abstract: An aqueous methanol sensor for use in direct
methanol fuel cells (DMFCs) applications is demonstrated; the
methanol sensor is built using dispersed single-walled carbon
nanotubes (SWCNTs) with Nafion117 solution to detect the methanol
concentration in water. The study is aimed at the potential use of the
carbon nanotubes array as a methanol sensor for direct methanol fuel
cells (DMFCs). The concentration of methanol in the fuel circulation
loop of a DMFC system is an important operating parameter, because
it determines the electrical performance and efficiency of the fuel cell
system. The sensor is also operative even at ambient temperatures
and responds quickly to changes in the concentration levels of the
methanol. Such a sensor can be easily incorporated into the methanol
fuel solution flow loop in the DMFC system.
Abstract: We fabricated multi-walled carbon nanotube (MCNT)
emitters by an electroporetic deposition (EPD) method using a
MCNT-sodium dodecyl sulfate (SDS) suspension. MCNT films were
prepared on graphite tip using EPD. We observe field emission
properties of MCNT film after heat treatment. Consequently, The
MCNT film on graphite tip exhibit good electron emission current.
Abstract: The rate of production of main products of the Fischer-Tropsch reactions over Fe/HZSM5 bifunctional catalyst in a fixed bed reactor is investigated at a broad range of temperature, pressure, space velocity, H2/CO feed molar ratio and CO2, CH4 and water flow rates. Model discrimination and parameter estimation were performed according to the integral method of kinetic analysis. Due to lack of mechanism development for Fisher – Tropsch Synthesis on bifunctional catalysts, 26 different models were tested and the best model is selected. Comprehensive one and two dimensional heterogeneous reactor models are developed to simulate the performance of fixed-bed Fischer – Tropsch reactors. To reduce computational time for optimization purposes, an Artificial Feed Forward Neural Network (AFFNN) has been used to describe intra particle mass and heat transfer diffusion in the catalyst pellet. It is seen that products' reaction rates have direct relation with H2 partial pressure and reverse relation with CO partial pressure. The results show that the hybrid model has good agreement with rigorous mechanistic model, favoring that the hybrid model is about 25-30 times faster.