The kinetics of polycondensation of bishydroxyethyl naphthalate has been studied in the range of 241 -$260^{\circ}C$ using antimony trioxide catalyst. The reaction was performed in a batch reactor and the concentration of reaction mixture was measured with HPLC. The activation energy values of forward and reverse reaction determined from molecular species model were found to be 19.7 and 31.4 kcal/mole, respectively, and the equilibrium constants were in the range of 1.4-2.0, which were larger than that of polycondensation of PET and varied to some degree with temperature. It was confirmed by applying the Flory's distribution function that the reaction rate of the hyroxyethyl group does not depend on the molecular size. By applying functional group model, we observed that there was few difference between the activation energy of the forward reaction and that of reverse reaction, therefore the equilibrium constant has almost constant value of 1.4. The rate constants obtained from functional group model was about 3-4 times larger than that from molecular species model, which showed that both model explains the reaction system well. Although the molecular species model should predict the concentration of as many as ten molecules, it fits for the experimental results well.
This study presents a numerical model for simulating dense interflows. The governing equations are provided and the finite difference method is used with the $k-{\varepsilon}$ turbulence model. The model is used to simulate a dense interflow established in a deep ambient water, resulting velocity and excess density profiles. It is observed that velocity decreases in the longitudinal direction due to water entrainment in the vicinity of the outlet and rarely changes for increased Richardson number. Similarity collapses of velocity and excess density are obtained, but those of turbulent kinetic energy and dissipation rate are not. A shape factor for the dense interflow is obtained from the simulated profiles. The value of this shape factor can be used in the layer-averaged modeling of dense interflows. In addition, a buoyancy-related parameter ($c_{3{\varepsilon}}$) for the $k-{\varepsilon}$ model and the volume expansion coefficient (${\beta}_0$) are obtained from the simulated results.
The problem of determining the discharge rates of gases from pressurized vessels through pressure relief devices was dealt with comprehensively. First, starting from basic fluid flow equations, detailed modeling procedures were presented for isentropic nozzle flows and frictional flows in a pipe, respectively. Meanwhile, physical explanations were given to choking phenomena in terms of the acoustic velocity, elucidating the widespread use of Mach numbers in gas flow models. Frictional flows in a pipe were classified into adiabatic, isothermal, and general flows according to the heat transfer situation around the pipe, but the adiabatic flow model was recommended suitable for gas discharge through pressure relief devices. Next, for the isentropic nozzle flow followed by adiabatic frictional flow in the pipe, two equations were established for two unknowns that consist of the Mach numbers at the inlet and outlet of the pipe, respectively. The relationship among the ratio of downstream reservoir pressure to upstream pressure, mass flux, and total frictional loss coefficient was shown in various forms of MATLAB 2-D plot, 3-D surface plot and contour plot. Then, the profiles of gas properties and velocity in the pipe section were traced. A method to quantify the relationship among the pressure head, velocity head, and total friction loss was presented, and was used in inferring that the rapid increase in gas velocity in the region approaching the choked flow at the pipe outlet is attributed to the conversion of internal energy to kinetic energy. Finally, the Levenspiel chart reproduced in this work was compared with the Lapple chart used in API 521 Standatd.
A rockburst is a common disaster in deep-tunnel excavation engineering, especially for high-geostress areas. An anomalously low friction effect is one of the most important inducements of rockbursts. To elucidate the correlation between an anomalously low friction effect and a rockburst, we establish a two-dimensional prediction model that considers the discontinuous structure of a rock mass. The degree of freedom of the rotation angle is introduced, thus the motion equations of the blocks under the influence of a transient disturbing force are acquired according to the interactions of the blocks. Based on the two-dimensional discontinuous block model of deep rock mass, a rockburst prediction model is established, and the initiation process of ultra-low friction rockburst is analyzed. In addition, the intensity of a rockburst, including the location, depth, area, and velocity of ejection fragments, can be determined quantitatively using the proposed prediction model. Then, through a specific example, the effects of geomechanical parameters such as the different principal stress ratios, the material properties, a dip of principal stress on the occurrence form and range of rockburst are analyzed. The results indicate that under dynamic disturbance, stress variation on the structural surface in a deep rock mass may directly give rise to a rockburst. The formation of rockburst is characterized by three stages: the appearance of cracks that result from the tension or compression failure of the deformation block, the transformation of strain energy of rock blocks to kinetic energy, and the ejection of some of the free blocks from the surrounding rock mass. Finally, the two-dimensional rockburst prediction model is applied to the construction drainage tunnel project of Jinping II hydropower station. Through the comparison with the field measured rockburst data and UDEC simulation results, it shows that the model in this paper is in good agreement with the actual working conditions, which verifies the accuracy of the model in this paper.
Collaborative systems allow users, who may be far removed from each other geographically, to do collaborative work such as 3D animation, computer game, and industrial design in a single virtual space. This paper describes our experience to develop a collaborative system framework that aims at expanding the some functions of a stand-alone visual modeling tool, called 3D Studio Max, into those of the distributed collaborative working environments. The paper mainly deals with design and implementation of a 3D shared-object Plug-In with respect to the 3D Studio Max Plug-In Software Development Kit in the distributed collaborative system developed by the authors. There are two major functions of the proposed scheme; one is to write 3D object-information to the shared memory after extracting it from the 3D Studio Max, the other is to create 3D objects after retrieving them from the shared memory. Also, the proposed scheme provides a simple way of storing 3D objects that have variable size, by means of shared memory which located in between the collaborative system clients and 3D studio Max. One of the remarkable virtures of the Plug-In is to reduce a considerable amount of shared object data which in consequence can mitigate the network overhead. This can be achieved by the fact that the system is able to extract a minimum amount of 3D objects that are required to transmit. Also, using the proposed scheme, user can facilitate 3D Studio Max into distributed collaborative working environments. This, in consequence give many benefits such as saving time as well as eliminating space constraints in the course of 3D modeling when we are under industrial design process.
Rigorous multiscale modelling and simulation of the MTR for WGSR was carried out to accurately predict the behavior of process variables and the reactor performance. The MTR consists of 4 fixed bed tube reactors packed with heterogeneous catalysts, as well as surrounding shell part for the cooling purpose. Considering that fluid flow field and reaction kinetics give a great influence on the reactor performance, employing multiscale methodology encompassing Computational Fluid Dynamics (CFD) and process modeling was natural and, in a sense, inevitable conclusion. Inlet and outlet temperature of the reactant fluid at the tube side was $345^{\circ}C$ and $390^{\circ}C$, respectively and the CO conversion at the exit of the tube side with these conditions approached to about 0.89. At the shell side, the inlet and outlet temperature of the cooling fluid, which flows counter-currently to tube flow, was $190^{\circ}C$ and $240^{\circ}C$. From this heat exchange, the energy saving was achieved for the flow at shell side and temperature of the tube side was properly controlled to obtain high CO conversion. The simulation results from this research were accurately comparable to the experimental data from various papers.
In this study, pervaporation performances of water/methanol and water/butanol mixture were evaluated using zeolite 4A membranes manufacutred by FINETECH by experimental works and numerical modeling. Permeation and separation characteristics, such as flux and separation factor, were analyzed by gas chromatography (TCD) and liquid nitrogen traps. Experiments have shown that water is selectively separated from a mixture of water and methanol (separation factor up to approximately 250) and water and butanol (separation factor up to approximately 1,500). Generalized Maxwell Stefan (GMS) theory was implemented to predict pervaporation behaviors of water/alcohol mixtures and diffusional coefficients of zeolite layer were obtained through parameter estimation using $MATLAB^{(R)}$ optimization toolbox. Since the pore size of zeolite 4A are much larger than kinetic diameter of water molecules and smaller than those of methanol and butanol, zeolite 4A membranes can be applied to in situ water removal process such as membrane reactors or hybrid reaction-dehydration process.
Journal of the Korean Society of Urban Environment
/
v.18
no.4
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pp.547-555
/
2018
In addition to North America and Europe, Korea is also responding to the toxic damage caused by the production and distribution of chemicals. Methods for assessing bio-toxicity of harmful substances have been widely introduced, but it is required of quantitative and speedy information for modeling. For 6 heavy metals, as zinc, copper, chrome, cadmium, mercury and lead, bio-toxicity assessment and kinetics model were constructed using Vibrio fischeri which is widely used luminous bacteria. The degree of luminescence activity and the toxicity of heavy metals were relative limunescence unit, RLU measured as by using a photomultiplier embedded device. The toxicity was assessed by the concentration levels giving under 20% lethality and lethal concentration, $EC_{50}$. In the results, the toxicity order were followed from mercury, lead, copper, chrome, zinc and cadmium. $EC_{{50},{\infty}}$ obtained by trends of $EC_{50}$ by time follows had highly linear agreement with main parameters of bio-toxicity modelling. The average error rates of the reproduced lethality obtained from DAM and TDM model on the basis of body residue, were 10.2% for mercury, lead, copper, chrome and 20.0 for the all 6 methals.
Kim, Sung Un;Kim, Yong Gyun;Lee, Sang Mong;Park, Hyean Cheal;Kim, Keun Ki;Son, Hong Joo;Noh, Yong Dong;Hong, Chang Oh
Korean Journal of Environmental Agriculture
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v.34
no.4
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pp.268-273
/
2015
BACKGROUND: Petroleum-contaminated soil from leaking above- and underground storage tanks and spillage during transport of petroleum products is widespread environmental problem in recent years. Application of compost may be the most promising, cost-effective, and eco-friendly technology for soil bioremediation because of its advantages over physical and chemical technology. The objective of this study was to evaluate effect of compost application on degradation of total petroleum hydrocarbon (TPH) in petroleum hydrocarbon-contaminated soil.METHOD AND RESULTS: An arable soil was artificially contaminated by diesel, and compost was applied at the different rate of 0, 10, 30, and 50 Mg/ha. Concentration of TPH in the soil decreased as application rate of compost increased. Degradation efficiency was highest at compost 30 Mg/ha; however, it slightly decreased with compost 50 Mg/ha. Kinetic modeling was performed to estimate the rates of chemical reaction. The correlation coefficient (R2) values for the linear plots using the second-order model were higher than those using the first-oder model. Compost 30 and 50 Mg/ha had the fastest TPH degradation rate in the second-order model. Change of microbial population in soil with compost application was similar to that of TPH. Microbial population in the soil increased as application rate of compost increased. Increasing microbial population in the contaminated soil corresponded to decreased in TPH concentration.CONCLUSION: Conclusively, compost application for soil bioremediation could be an effective response to petroleum hydrocarbon-contaminated soil. The increase in microbial population with compost suggested that compost application at an optimum rate might enhance degradation of TPH in soil.
Yun, Sang Yeop;Jung, Ho Chul;Lee, In-Beum;Chang, Kun Soo
제어로봇시스템학회:학술대회논문집
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1991.10b
/
pp.1639-1645
/
1991
Because of the important role LD converters play in the production of high quality steel, various dynamic models have been attempted in the past by many researchers not only to understand the complex chemical reactions that take place in the converter process but also to assist the converter operation itself using computers. And yet no single dynamic model was found to be completely satisfactory because of the complexity involved with the process. The process indeed involves dynamic energy and mass balances at high temperatures accompanied by complex chemical reactions and transport phenomena in the molten state. In the present study, a mathematical model describing the dynamic behavior of LD converter process has been developed. The dynamic model describes the time behavior of the temperature and the concentrations of chemical species in the hot metal bath and slag. The analysis was greatly facilitated by dividing the entire process into three zones according to the physical boundaries and reaction mechanisms. These three zones were hot metal (zone 1), slag (zone 2) and emulsion (zone 3) zones. The removal rate of Si, C, Mn and P and the rate of Fe oxidation in the hot metal bath, and the change of composition in the slag were obtained as functions of time, operating conditions and kinetic parameters. The temperature behavior in the metal bath and the slag was also obtained by considering the heat transfer between the mixing and the slag zones and the heat generated from chemical reactions involving oxygen blowing. To identify the unknown parameters in the equations and simulate the dynamic model, Hooke and Jeeves parttern search and Runge-Kutta integration algorithm were used. By testing and fitting the model with the data obtained from the operation of POSCO #2 steelmaking plant, the dynamic model was able to predict the characteristics of the main components in the LD converter. It was possible to predict the optimum CO gas recovery by computer simulation
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