Abstract: Group contribution based models are widely used in
industrial applications for its convenience and flexibility. Although a
number of group contribution models have been proposed, there were
certain limitations inherent to those models. Models based on group
contribution excess Gibbs free energy are limited to low pressures and
models based on equation of state (EOS) cannot properly describe
highly nonideal mixtures including acids without introducing
additional modification such as chemical theory. In the present study
new a new approach derived from quantum chemistry have been used
to calculate necessary EOS group interaction parameters. The
COSMO-RS method, based on quantum mechanics, provides a
reliable tool for fluid phase thermodynamics. Benefits of the group
contribution EOS are the consistent extension to hydrogen-bonded
mixtures and the capability to predict polymer-solvent equilibria up to
high pressures. The authors are confident that with a sufficient
parameter matrix the performance of the lattice EOS can be improved
significantly.
Abstract: In hypersonic environments, the aerothermal effect
makes it difficult for the optical side windows of optical guided
missiles to withstand high heat. This produces cracking or breaking,
resulting in an inability to function. This study used computational
fluid mechanics to investigate the external cooling jet conditions of
optical side windows. The turbulent models k-ε and k-ω were
simulated. To be in better accord with actual aerothermal
environments, a thermal radiation model was added to examine
suitable amounts of external coolants and the optical window
problems of aero-thermodynamics. The simulation results indicate that
when there are no external cooling jets, because airflow on the optical
window and the tail groove produce vortices, the temperatures in these
two locations reach a peak of approximately 1600 K. When the
external cooling jets worked at 0.15 kg/s, the surface temperature of
the optical windows dropped to approximately 280 K. When adding
thermal radiation conditions, because heat flux dissipation was faster,
the surface temperature of the optical windows fell from 280 K to
approximately 260 K. The difference in influence of the different
turbulence models k-ε and k-ω on optical window surface temperature
was not significant.
Abstract: The compression-absorption heat pump (C-A HP), one
of the promising heat recovery equipments that make process hot
water using low temperature heat of wastewater, was evaluated by
computer simulation. A simulation program was developed based on
the continuity and the first and second laws of thermodynamics. Both
the absorber and desorber were modeled using UA-LMTD method. In
order to prevent an unfeasible temperature profile and to reduce
calculation errors from the curved temperature profile of a mixture,
heat loads were divided into lots of segments. A single-stage
compressor was considered. A compressor cooling load was also
taken into account. An isentropic efficiency was computed from the
map data. Simulation conditions were given based on the system
consisting of ordinarily designed components. The simulation results
show that most of the total entropy generation occurs during the
compression and cooling process, thus suggesting the possibility that
system performance can be enhanced if a rectifier is introduced.
Abstract: This study comprehensively simulate the use of k-ε
model for predicting flow and heat transfer with measured flow field
data in a stationary duct with elucidates on the detailed physics
encountered in the fully developed flow region, and the sharp 180°
bend region. Among the major flow features predicted with accuracy
are flow transition at the entrance of the duct, the distribution of
mean and turbulent quantities in the developing, fully developed, and
sharp 180° bend, the development of secondary flows in the duct
cross-section and the sharp 180° bend, and heat transfer
augmentation. Turbulence intensities in the sharp 180° bend are
found to reach high values and local heat transfer comparisons show
that the heat transfer augmentation shifts towards the wall and along
the duct. Therefore, understanding of the unsteady heat transfer in
sharp 180° bends is important. The design and simulation are related
to concept of fluid mechanics, heat transfer and thermodynamics.
Simulation study has been conducted on the response of turbulent
flow in a rectangular duct in order to evaluate the heat transfer rate
along the small scale multiple rectangular duct
Abstract: This paper unifies power optimization approaches in
various energy converters, such as: thermal, solar, chemical, and
electrochemical engines, in particular fuel cells. Thermodynamics
leads to converter-s efficiency and limiting power. Efficiency
equations serve to solve problems of upgrading and downgrading of
resources. While optimization of steady systems applies the
differential calculus and Lagrange multipliers, dynamic optimization
involves variational calculus and dynamic programming. In reacting
systems chemical affinity constitutes a prevailing component of an
overall efficiency, thus the power is analyzed in terms of an active
part of chemical affinity. The main novelty of the present paper in the
energy yield context consists in showing that the generalized heat
flux Q (involving the traditional heat flux q plus the product of
temperature and the sum products of partial entropies and fluxes of
species) plays in complex cases (solar, chemical and electrochemical)
the same role as the traditional heat q in pure heat engines.
The presented methodology is also applied to power limits in fuel
cells as to systems which are electrochemical flow engines propelled
by chemical reactions. The performance of fuel cells is determined by
magnitudes and directions of participating streams and mechanism of
electric current generation. Voltage lowering below the reversible
voltage is a proper measure of cells imperfection. The voltage losses,
called polarization, include the contributions of three main sources:
activation, ohmic and concentration. Examples show power maxima
in fuel cells and prove the relevance of the extension of the thermal
machine theory to chemical and electrochemical systems. The main
novelty of the present paper in the FC context consists in introducing
an effective or reduced Gibbs free energy change between products p
and reactants s which take into account the decrease of voltage and
power caused by the incomplete conversion of the overall reaction.
Abstract: Energetic and structural results for ethanol-water mixtures as a function of the mole fraction were calculated using Monte Carlo methodology. Energy partitioning results obtained for equimolar water-ethanol mixture and ether organic liquids are compared. It has been shown that at xet=0.22 the RDFs for waterethanol and ethanol-ethanol interactions indicated strong hydrophobic interactions between ethanol molecules and the local structure of solution is less structured at this concentration as at ether ones. Results obtained for ethanol-water mixture as a function of concentration are in good agreement with the experimental data.
Abstract: This paper aims to perform the second law analysis of
thermodynamics on the laminar film condensation of pure saturated
vapor flowing in the direction of gravity on an ellipsoid with variable
wall temperature. The analysis provides us understanding how the
geometric parameter- ellipticity and non-isothermal wall temperature
variation amplitude “A." affect entropy generation during film-wise
condensation heat transfer process. To understand of which
irreversibility involved in this condensation process, we derived an
expression for the entropy generation number in terms of ellipticity
and A. The result indicates that entropy generation increases with
ellipticity. Furthermore, the irreversibility due to finite temperature
difference heat transfer dominates over that due to condensate film
flow friction and the local entropy generation rate decreases with
increasing A in the upper half of ellipsoid. Meanwhile, the local
entropy generation rate enhances with A around the rear lower half of
ellipsoid.
Abstract: This paper presents the exergy analysis of a
desalination unit using humidification-dehumidification process.
Here, this unit is considered as a thermal system with three main
components, which are the heating unit by using a solar collector, the
evaporator or the humidifier, and the condenser or the dehumidifier.
In these components the exergy is a measure of the quality or grade
of energy and it can be destroyed in them. According to the second
law of thermodynamics this destroyed part is due to irreversibilities
which must be determined to obtain the exergetic efficiency of the
system.
In the current paper a computer program has been developed using
visual basic to determine the exergy destruction and the exergetic
efficiencies of the components of the desalination unit at variable
operation conditions such as feed water temperature, outlet air
temperature, air to feed water mass ratio and salinity, in addition to
cooling water mass flow rate and inlet temperature, as well as
quantity of solar irradiance.
The results obtained indicate that the exergy efficiency of the
humidifier increases by increasing the mass ratio and decreasing the
outlet air temperature. In the other hand the exergy efficiency of the
condenser increases with the increase of this ratio and also with the
increase of the outlet air temperature.
Abstract: The equilibrium, thermodynamics and kinetics of the
biosorption of Cd (II) and Pb(II) by a Spore Forming Bacillus (MGL
75) were investigated at different experimental conditions. The
Langmuir and Freundlich, and Dubinin-Radushkevich (D-R)
equilibrium adsorption models were applied to describe the
biosorption of the metal ions by MGL 75 biomass. The Langmuir
model fitted the equilibrium data better than the other models.
Maximum adsorption capacities q max for lead (II) and cadmium (II)
were found equal to 158.73mg/g and 91.74 mg/g by Langmuir model.
The values of the mean free energy determined with the D-R equation
showed that adsorption process is a physiosorption process. The
thermodynamic parameters Gibbs free energy (ΔG°), enthalpy (ΔH°),
and entropy (ΔS°) changes were also calculated, and the values
indicated that the biosorption process was exothermic and
spontaneous. Experiment data were also used to study biosorption
kinetics using pseudo-first-order and pseudo-second-order kinetic
models. Kinetic parameters, rate constants, equilibrium sorption
capacities and related correlation coefficients were calculated and
discussed. The results showed that the biosorption processes of both
metal ions followed well pseudo-second-order kinetics.