Abstract: High pressure carbon dioxide (CO2) absorption from a specific off-gas in a conventional column has been evaluated for the environmental concerns by the Aspen HYSYS simulator using a wide range of single absorbents and piperazine (PZ) blended solutions to estimate the outlet CO2 concentration, CO2 loading, reboiler power supply and regeneration heat duty to choose the most efficient solution in terms of CO2 removal and required heat duty. The property package, which is compatible with all applied solutions for the simulation in this study, estimates the properties based on electrolyte non-random two-liquid (E-NRTL) model for electrolyte thermodynamics and Peng-Robinson equation of state for vapor phase and liquid hydrocarbon phase properties. The results of the simulation indicate that PZ in addition to the mixture of PZ and monoethanolamine (MEA) demand the highest regeneration heat duty compared with other studied single and blended amine solutions respectively. The blended amine solutions with the lowest PZ concentrations (5wt% and 10wt%) were considered and compared to reduce the cost of process, among which the blended solution of 10wt%PZ+35wt%MDEA (methyldiethanolamine) was found as the most appropriate solution in terms of CO2 content in the outlet gas, rich-CO2 loading and regeneration heat duty.
Abstract: A high pressure carbon dioxide (CO2) absorption from a specific gas in a conventional column has been evaluated by the Aspen HYSYS simulator using a wide range of single absorbents and blended solutions to estimate the outlet CO2 concentration, absorption efficiency and CO2 loading to choose the most proper solution in terms of CO2 capture for environmental concerns. The property package (Acid Gas-Chemical Solvent) which is compatible with all applied solutions for the simulation in this study, estimates the properties based on an electrolyte non-random two-liquid (E-NRTL) model for electrolyte thermodynamics and Peng-Robinson equation of state for the vapor and liquid hydrocarbon phases. Among all the investigated single amines as well as blended solutions, piperazine (PZ) and the mixture of piperazine and monoethanolamine (MEA) have been found as the most effective absorbents respectively for CO2 absorption with high reactivity based on the simulated operational conditions.
Abstract: Bullet penetration in steel plate is investigated with
the help of three-dimensional, non-linear, transient, dynamic, finite
elements analysis using explicit time integration code LSDYNA. The
effect of large strain, strain-rate and temperature at very high velocity
regime was studied from number of simulations of semi-spherical
nose shape bullet penetration through single layered circular plate
with 2 mm thickness at impact velocities of 500, 1000, and 1500 m/s
with the help of Johnson Cook material model. Mie-Gruneisen
equation of state is used in conjunction with Johnson Cook material
model to determine pressure-volume relationship at various points of
interests. Two material models viz. Plastic-Kinematic and Johnson-
Cook resulted in different deformation patterns in steel plate. It is
observed from the simulation results that the velocity drop and loss of
kinetic energy occurred very quickly up to perforation of plate, after
that the change in velocity and changes in kinetic energy are
negligibly small. The physics behind this kind of behaviour is
presented in the paper.
Abstract: In this paper, we present a quantum statistical
mechanical formulation from our recently analytical expressions for
partial-wave transition matrix of a three-particle system. We report
the quantum reactive cross sections for three-body scattering
processes 1+(2,3)→1+(2,3) as well as recombination
1+(2,3)→1+(3,1) between one atom and a weakly-bound dimer. The
analytical expressions of three-particle transition matrices and their
corresponding cross-sections were obtained from the threedimensional
Faddeev equations subjected to the rank-two non-local
separable potentials of the generalized Yamaguchi form. The
equilibrium quantum statistical mechanical properties such partition
function and equation of state as well as non-equilibrium quantum
statistical properties such as transport cross-sections and their
corresponding transport collision integrals were formulated
analytically. This leads to obtain the transport properties, such as
viscosity and diffusion coefficient of a moderate dense gas.
Abstract: This study presents three different approaches to
estimate bubble point pressures for the binary system of CO2 and
ethyl palmitate fatty acid ethyl ester. The first method involves the
Peng-Robinson (PR) Equation of State (EoS) with the conventional
mixing rule of Van der Waals. The second approach involves the PR
EOS together with the Wong Sandler (WS) mixing rule, coupled with
the UNIQUAC GE model. In order to model the bubble point
pressures with this approach, the volume and area parameter for ethyl
palmitate were estimated by the Hansen group contribution method.
The last method involved the Peng-Robinson, combined with the
Wong-Sandler method, but using NRTL as the GE model. Results
using the Van der Waals mixing rule clearly indicated that this
method has the largest errors among all three methods, with errors in
the range of 3.96-6.22%. The PR-WS-UNIQUAC method exhibited
small errors, with average absolute deviations between 0.95 to 1.97
percent. The PR-WS-NRTL method led to the least errors, where
average absolute deviations ranged between 0.65-1.7%.
Abstract: In this paper we consider the equation of motion for
the F (R, T) gravity on their property of conformal invariance. It
is shown that in the general case, such a theory is not conformal
invariant. Studied special cases for the functions v and u in which
can appear properties of the theory. Also we consider cosmological
aspects F (R, T) theory of gravity, having considered particular case
F (R, T) = μR+νT^2. Showed that in this case there is a nonlinear
dependence of the parameter equation of state from time to time,
which affects its evolution.
Abstract: The knowledge of biodiesel density over large ranges
of temperature and pressure is important for predicting the behavior
of fuel injection and combustion systems in diesel engines, and for
the optimization of such systems. In this study, cottonseed oil was
transesterified into biodiesel and its density was measured at
temperatures between 288 K and 358 K and pressures between 0.1
MPa and 30 MPa, with expanded uncertainty estimated as ±1.6 kg⋅m-
3. Experimental pressure-volume-temperature (pVT) cottonseed data
was used along with literature data relative to other 18 biodiesels, in
order to build a database used to test the correlation of density with
temperarure and pressure using the Goharshadi–Morsali–Abbaspour
equation of state (GMA EoS). To our knowledge, this is the first that
density measurements are presented for cottonseed biodiesel under
such high pressures, and the GMA EoS used to model biodiesel
density. The new tested EoS allowed correlations within 0.2 kg·m-3
corresponding to average relative deviations within 0.02%. The built
database was used to develop and test a new full predictive model
derived from the observed linear relation between density and degree
of unsaturation (DU), which depended from biodiesel FAMEs
profile. The average density deviation of this method was only about
3 kg.m-3 within the temperature and pressure limits of application.
These results represent appreciable improvements in the context of
density prediction at high pressure when compared with other
equations of state.
Abstract: Carbon capture, transport and underground storage have become a major solution to reduce CO2 emissions from power plants and other large CO2 sources. A big part of this captured CO2 stream is transported at high pressure dense phase conditions and stored in offshore underground depleted oil and gas fields. CO2 is also transported in offshore pipelines to be used for enhanced oil and gas recovery. The captured CO2 stream with impurities may contain water that causes severe corrosion problems, flow assurance failure and might damage valves and instrumentations. Thus, free water formation should be strictly prevented. The purpose of this work is to study the solubility of water in pure CO2 and in CO2 mixtures under real pipeline pressure (90-150 bar) and temperature operation conditions (5-35°C). A set up was constructed to generate experimental data. The results show the solubility of water in CO2 mixtures increasing with the increase of the temperature or/and with the increase in pressure. A drop in water solubility in CO2 is observed in the presence of impurities. The data generated were then used to assess the capabilities of two mixture models: the GERG-2008 model and the EOS-CG model. By generating the solubility data, this study contributes to determine the maximum allowable water content in CO2 pipelines.
Abstract: Cubic equations of state like Redlich–Kwong (RK)
EOS have been proved to be very reliable tools in the prediction of
phase behavior. Despite their good performance in compositional
calculations, they usually suffer from weaknesses in the predictions
of saturated liquid density. In this research, RK equation was
modified. The result of this study show that modified equation has
good agreement with experimental data.
Abstract: Cubic equations of state (EoS), popular due to their simple mathematical form, ease of use, semi-theoretical nature and reasonable accuracy, are normally fitted to vapor-liquid equilibrium P-v-T data. As a result, they often show poor accuracy in the region near and above the critical point. In this study, the performance of the renowned Peng-Robinson (PR) and Patel-Teja (PT) EoS’s around the critical area has been examined against the P-v-T data of water. Both of them display large deviations at critical point. For instance, PR-EoS exhibits discrepancies as high as 47% for the specific volume, 28% for the enthalpy departure and 43% for the entropy departure at critical point. It is shown that incorporating P-v-T data of the supercritical region into the retuning of a cubic EoS can improve its performance at and above the critical point dramatically. Adopting a retuned acentric factor of 0.5491 instead of its genuine value of 0.344 for water in PR-EoS and a new F of 0.8854 instead of its original value of 0.6898 for water in PT-EoS reduces the discrepancies to about one third or less.
Abstract: Existence of plastic equation of state has been investigated by performing a series of load relaxation tests at various temperatures using an Al-Li alloy. A plastic equation of state is first developed from a simple kinetics consideration for a mechanical activation process of a leading dislocation piled up against grain boundaries. A series of load relaxation test has been conducted at temperatures ranging from 200 to 530oC to obtain the stress-strain rate curves. A plastic equation of state has been derived from a simple consideration of dislocation kinetics and confirmed by experimental results.
Abstract: This work presents a theoretical investigation of the
simultaneous absorption of CO2 and H2S into aqueous solutions of
MDEA and DEA. In this process the acid components react
with the basic alkanolamine solution via an exothermic,
reversible reaction in a gas/liquid absorber. The use of amine
solvents for gas sweetening has been investigated using
process simulation programs called HYSYS and ASPEN. We
use Electrolyte NRTL and Amine Package and Amines
(experimental) equation of state. The effects of temperature and
circulation rate and amine concentration and packed column and
murphree efficiency on the rate of absorption were studied.
When lean amine flow and concentration increase, CO2 and H2S
absorption increase too. With the improvement of inlet amine
temperature in absorber, CO2 and H2S penetrate to upper stages of
absorber and absorption of acid gases in absorber decreases. The CO2
concentration in the clean gas can be greatly influenced by the
packing height, whereas for the H2S concentration in the clean gas the
packing height plays a minor role. HYSYS software can not
estimate murphree efficiency correctly and it applies the same
contributions in all diagrams for HYSYS software. By
improvement in murphree efficiency, maximum temperature
of absorber decrease and the location of reaction transfer to the
stages of bottoms absorber and the absorption of acid gases
increase.
Abstract: The paper presents a numerical investigation on the
rapid gas decompression in pure nitrogen which is made by using the
one-dimensional (1D) and three-dimensional (3D) mathematical
models of transient compressible non-isothermal fluid flow in pipes.
A 1D transient mathematical model of compressible thermal multicomponent
fluid mixture flow in pipes is presented. The set of the
mass, momentum and enthalpy conservation equations for gas phase
is solved in the model. Thermo-physical properties of multicomponent
gas mixture are calculated by solving the Equation of
State (EOS) model. The Soave-Redlich-Kwong (SRK-EOS) model is
chosen. This model is successfully validated on the experimental data
[1] and shows a good agreement with measurements. A 3D transient
mathematical model of compressible thermal single-component gas
flow in pipes, which is built by using the CFD Fluent code (ANSYS),
is presented in the paper. The set of unsteady Reynolds-averaged
conservation equations for gas phase is solved. Thermo-physical
properties of single-component gas are calculated by solving the Real
Gas Equation of State (EOS) model. The simplest case of gas
decompression in pure nitrogen is simulated using both 1D and 3D
models. The ability of both models to simulate the process of rapid
decompression with a high order of agreement with each other is
tested. Both, 1D and 3D numerical results show a good agreement
between each other. The numerical investigation shows that 3D CFD
model is very helpful in order to validate 1D simulation results if the
experimental data is absent or limited.
Abstract: The paper presents the results of theoretical and
numerical modeling of propagation of shock waves in bubbly liquids
related to nonlinear effects (realistic equation of state, chemical
reactions, two-dimensional effects). On the basis on the Rankine-
Hugoniot equations the problem of determination of parameters of
passing and reflected shock waves in gas-liquid medium for
isothermal, adiabatic and shock compression of the gas component is
solved by using the wide-range equation of state of water in the
analitic form. The phenomenon of shock wave intensification is
investigated in the channel of variable cross section for the
propagation of a shock wave in the liquid filled with bubbles
containing chemically active gases. The results of modeling of the
wave impulse impact on the solid wall covered with bubble layer are
presented.
Abstract: The paper presents a one-dimensional transient
mathematical model of compressible non-isothermal multicomponent
fluid mixture flow in a pipe. The set of the mass,
momentum and enthalpy conservation equations for gas phase is
solved in the model. Thermo-physical properties of multi-component
gas mixture are calculated by solving the Equation of State (EOS)
model. The Soave-Redlich-Kwong (SRK-EOS) model is chosen. Gas
mixture viscosity is calculated on the basis of the Lee-Gonzales-
Eakin (LGE) correlation. Numerical analysis of rapid gas
decompression process in rich and base natural gases is made on the
basis of the proposed mathematical model. The model is successfully
validated on the experimental data [1]. The proposed mathematical
model shows a very good agreement with the experimental data [1] in
a wide range of pressure values and predicts the decompression in
rich and base gas mixtures much better than analytical and
mathematical models, which are available from the open source
literature.
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: The modeling of sound radiation is of fundamental importance for understanding the propagation of acoustic waves and, consequently, develop mechanisms for reducing acoustic noise. The propagation of acoustic waves, are involved in various phenomena such as radiation, absorption, transmission and reflection. The radiation is studied through the linear equation of the acoustic wave that is obtained through the equation for the Conservation of Momentum, equation of State and Continuity. From these equations, is the Helmholtz differential equation that describes the problem of acoustic radiation. In this paper we obtained the solution of the Helmholtz differential equation for an infinite cylinder in a pulsating through free and homogeneous. The analytical solution is implemented and the results are compared with the literature. A numerical formulation for this problem is obtained using the Boundary Element Method (BEM). This method has great power for solving certain acoustical problems in open field, compared to differential methods. BEM reduces the size of the problem, thereby simplifying the input data to be worked and reducing the computational time used.
Abstract: A robust AUSM+ upwind discretisation scheme has been developed to simulate multiphase flow using consistent spatial discretisation schemes and a modified low-Mach number diffusion term. The impact of the selection of an interfacial pressure model has also been investigated. Three representative test cases have been simulated to evaluate the accuracy of the commonly-used stiffenedgas equation of state with respect to the IAPWS-IF97 equation of state for water. The algorithm demonstrates a combination of robustness and accuracy over a range of flow conditions, with the stiffened-gas equation tending to overestimate liquid temperature and density profiles.
Abstract: In this work, ionic liquids (ILs) for CO2 capturing in typical absorption/stripper process are considered. The use of ionic liquids is considered to be cost-effective because it requires less energy for solvent recovery compared to other conventional processes. A mathematical model is developed for the process based on Peng-Robinson (PR) equation of state (EoS) which is validated with experimental data for various solutions involving CO2. The model is utilized to study the sorbent and energy demand for three types of ILs at specific CO2 capturing rates. The energy demand is manifested by the vapor-liquid equilibrium temperature necessary to remove the captured CO2 from the used solvent in the regeneration step. It is found that higher recovery temperature is required for solvents with higher solubility coefficient. For all ILs, the temperature requirement is less than that required by the typical monoethanolamine (MEA) solvent. The effect of the CO2 loading in the sorbent stream on the process performance is also examined.
Abstract: The peng-Robinson (PR), a cubic equation of state (EoS), is extended to polymers by using a single set of energy (A1, A2, A3) and co-volume (b) parameters per polymer fitted to experimental volume data. Excellent results for the volumetric behavior of the 11 polymer up to 2000 bar pressure are obtained. The EoS is applied to the correlation and prediction of Henry constants in polymer solutions comprising three polymer and many nonpolar and polar solvents, including supercritical gases. The correlation achieved with two adjustable parameter is satisfactory compared with the experimental data. As a result, the present work provides a simple and useful model for the prediction of Henry's constant for polymer containing systems including those containing polar, nonpolar and supercritical fluids.