• Title/Summary/Keyword: kinetic modeling and simulation

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Mathematical model for reactive transport of heavy metals in soil column: Based on PHREEQC and HP1 simulators

  • Tameh, Fatemeh Izadi;Asadollahfardi, Gholamreza;Darban, Ahmad Khodadadi
    • Advances in environmental research
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    • v.6 no.1
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    • pp.67-81
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    • 2017
  • Mining activities play a significant role in environmental pollution by producing large amounts of tailings which comprise heavy metals. The impressive increase in mining activities in recent decades, due to their high influence on the industry of developing countries, duplicates the need for a substantial effort to develop and apply efficient measures of pollution control, mitigation, and abatement. In this study, our objective was to investigate the effect of simulation of the leachate, pH and inflow intensity of transport of $Pb^{2+}$, $Zn^{2+}$, and $Cd^{2+}$ through Lakan lead and zinc plant tailings, in Iran, and to evaluate the modeling efficiency by comparing the modeling results and the results obtained from previous column studies. We used the HP1 model and the PHREEQC database to simulate metals transport through a saturated soil column during a 15 day time period. The simulations assumed local equilibrium. As expected, a lower pH and inflow intensity increased metal transport. The retardation of heavy metals followed the order $Zn^{2+}$ > $Pb^{2+}$ > $Cd^{2+}$ and the removal concentrations of Cd, Pb, and Zn at the inflow intensity critical scenario, and Cd and Pb at inflow acidity critical scenario exceeded the allowable EPA and Iranian's 1053 standard thresholds. However, although the simulation results generally agreed well with the results of the column study, improvements are expected by using multi-dimensional models and a kinetic modeling approach for the reactions involved. The results of such investigations will be highly useful for designing preventative strategies to control reactive transport of hazardous metals and minimize their environmental effects.

Dynamic Modeling and Sensitivity Analysis for Predicting the Pseudomonas spp. Concentration in Alaska Pollack along the Distribution Path (명태 유통 중 Pseudomonas spp. 농도의 예측 모델링과 민감도 분석)

  • Shim, Soo-Dong;Sung, Jae-Ung;Lee, Jung-Young;Lee, Da-Sun;Kim, Seon-Bong;Hong, Kwang-Won;Lee, Yang-Bong;Lee, Seung-Ju
    • Korean Journal of Fisheries and Aquatic Sciences
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    • v.43 no.3
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    • pp.205-210
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    • 2010
  • Dynamic modeling was used to predict the Pseudomonas spp. concentration in Alaska pollack under dynamic temperature conditions in a programmable incubator using Euler's method. The model evaluation showed good agreement between the predicted and measured concentrations of Pseudomonas spp. In the simulation, three kinds of distribution path were assumed: consumers buying from a distribution center (A), manufacturer (B), or direct market (C). Each of these distribution paths consists of six phases: shipping, warehousing/shipment, warehousing/storing, processing, market exhibition, and sale/consumption. Sensitivity analysis of each phase was also implemented. The Pseudomonas concentrations and sensitivities ($S_k$) at the terminal phases of the three paths were estimated to be (A) 11.174 log CFU/g and 10.550 log $S_k$, (B) 10.948 log CFU/g and 10.738 log $S_k$, and (C) 8.758 log CFU/g and 9.602 log $S_k$, respectively. The sensitivities indicated that path A has the highest risk of failure in managing the relevant phases.

Numerical Simulation of Erosive Wear on an Impact Sprinkler Nozzle Using a Remeshing Algorithm

  • Xu, Yuncheng;Yan, Haijun
    • International Journal of Fluid Machinery and Systems
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    • v.9 no.4
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    • pp.287-299
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    • 2016
  • In China, agricultural irrigation water often contains a lot of suspended sediment which may cause the nozzle wear. In this study, a new numerical simulation combing the Discrete Phase Model and a remeshing algorithm was conducted. The geometric boundary deformation caused by the erosion wear, was considered. The weight loss of the nozzle, the node displacement and the flow field were investigated and discussed. The timestep sensitivity analysis showed that the timestep is very critical in the erosion modeling due to the randomness and the discreteness of the erosion behavior. Based on the simulation results, the major deformation of the boundary wall due to the erosion was found at the corners between outlet portion and contraction portion. Based on this remeshing algorithm, the simulated erosion weight loss of the nozzle is 4.62% less compared with the case without boundary deformation. The boundary deformation changes the pressure and velocity distribution, and eventually changes the sediment distribution inside the nozzle. The average turbulence kinetic energy at the outlet orifice is found to decrease with the erosion time, which is believed to change the nozzle's spray performance eventually.

Austenite Grain Growth Prediction Modeling of C-Mn-Mo-Ni Steel HAZ Considering Precipitates (C-Mn-Mo-Ni강 용접열영향부의 석출물을 고려한 오스테나이트 결정립 성장 거동 예측)

  • 서영대;엄상호;이창희;김주학;홍준화
    • Journal of Welding and Joining
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    • v.20 no.5
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    • pp.78-86
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    • 2002
  • A metallurgical model for the prediction of prior austenite grain size considering the dissolution kinetics of M$_3$C precipitates at the heat affected zone of SA508-cl.3 was proposed. The isothermal kinetics of grain growth and dissolution were respectively described by well-known equation, $dD/dT=M({\Delta}F_{eff})^M$ and Whelan's analytical model. The isothermal grain growth experiments were carried out for measure the kinetic parameters of grain growth. The precipitates of the base metal and the specimens exposed to thermal cycle were examined by TEM-carbon extraction replica method. The model was assessed by the comparison of BUE simulation experiments and showed good consistencies. However, there was no difference between the model considering and ignoring $M_3C$ precipitates. It seems considered that pinning force exerted by $M_3C$ Precipitates was lower than driving force for grain growth due to large size and small fraction of precipitates, and mobility of grain boundary was low in the lower temperature range.

Estimation of viscous and Coulomb damping from free-vibration data by a least-squares curve-fitting analysis

  • Slemp, Wesley C.H.;Hallauer, William L. Jr.;Kapania, Rakesh K.
    • Smart Structures and Systems
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    • v.4 no.3
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    • pp.279-290
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    • 2008
  • The modeling and parameter estimation of a damped one-degree-of-freedom mass-spring system is examined. This paper presents a method for estimating the system parameters (damping coefficients and natural frequency) from measured free-vibration motion of a system that is modeled to include both subcritical viscous damping and kinetic Coulomb friction. The method applies a commercially available least-squares curve-fitting software function to fit the known solution of the equations of motion to the measured response. The method was tested through numerical simulation, and it was applied to experimental data collected from a laboratory mass-spring apparatus. The mass of this apparatus translates on linear bearings, which are the primary source of light inherent damping. Results indicate that the curve-fitting method is effective and accurate for both perfect and noisy measurements from a lightly damped mass-spring system.

A Study on Nonlinear Rocking Vibration Characteristics of Rigid Block (In the Case of Sliding Occurrence) (강체 블록의 비선형 로킹진동특성에 관한 연구 (미끄럼이 있는 경우))

  • 정만용;김정호;김선규;나기대;양인영
    • Journal of the Korean Society of Safety
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    • v.15 no.1
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    • pp.1-10
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    • 2000
  • This paper deals with rocking response behavior of rigid block structure subjected to horizontal excitation. A strict consideration of impact and sliding between the block and base is essential to investigate the rocking vibration characteristics because the rocking behavior were greatly influenced by the impact and sliding motion. Therefore, not only restitution coefficient between the block and base but also the energy dissipation rate which is associated with sliding motion, and the static and kinetic friction coefficient between those should be included in the modeling of rocking system. The analytic program was developed to be able to simulate the experimental responses of the block subjected to horizontal sinusoidal excitations. By using this program, rocking responses were numerically calculated by the nonlinear equations for rocking system. From the response simulation and rocking vibration experiment, the following results were obtained. The rocking responses are affected by the impact motion due to energy dissipation and friction and provide very complex behavior. The toppling condition of the block is also influenced by the impact motion and sliding motion.

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Numerical Modeling for Combustion and Soot Formation Processes in Turbulent Diffusion Flames

  • Kim, Hoo-Joong;Kim, Yong-Mo
    • Journal of Mechanical Science and Technology
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    • v.16 no.1
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    • pp.116-124
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    • 2002
  • In order to investigate the soot formation and oxidation processes, we employed the two variable approach and its source terms representing soot nucleation, coagulation, surface growth and oxidation. For the simulation of the taxi-symmetric turbulent reacting flows, the pressure-velocity coupling is handled by the pressure based finite volume method. We also employed laminar flamelet model to calculate the thermo-chemical properties and the proper soot source terms from the information of detailed chemical kinetic model. The numerical and physical models used in this study successfully predict the essential features of the combustion processes and soot formation characteristics in the reacting flow field.

Kinetic Study of the Lipase-Catalyzed Interesterification of Triolein and Stearic Acid in Nonpolar Media

  • Chi, Young-Min
    • BMB Reports
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    • v.30 no.1
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    • pp.7-12
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    • 1997
  • The kinetics of the interesterification of triolein and stearic acid catalyzed by immobilized Rhizopus delemar lipase were studied in a batch operation. In order to clarify the mechanisms of this reaction, three models are discussed under various conditions in terms of the ratio of triolein and stearic acid. The rate constants involved in the proposed model were determined by combining the numerical Gauss-elemination method, and the trial-and-error method so as to fit the calculated results with the experimental data. The accuracy of the obtained rate constants was confirmed after they were substituted for simultaneous differential equations and the equations simulated using an adaptive step-size Runge-Kutta method. Finally, the model which agrees with the calculated results and the experimental data was selected.

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Finite Element Modeling of Polarization Switching in Electro-Mechanically Coupled Materials (전기-기계적으로 연성된 재료의 분극역전 거동에 대한 유한요소 모델링)

  • Kim, Sang-Ju
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.25 no.11
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    • pp.1697-1704
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    • 2001
  • A finite element model for polarization switching in electro-mechanically coupled materials is proposed and applied to predict the switching behavior of a two-dimensional ferroelectric ceramic. A complicated micro-structure existing in the material is modeled as il continuum body and a simple 3 node triangle finite element with nodal displacement and voltage degrees of freedom is used for a finite element analysis. The elements use nonlinear constitutive equations, switching criterion and kinetic relation, fur representation of material response at strong electric and stress fields. The polarization state of the material is represented by internal variables in each element, which are updated at each simulation step based on the proposed constitutive equations. The model reproduces strain and electric displacement hysteresis loops observed in the material.

Quadrant Protrusion error Modeling Through the Identification of Friction (마찰력 규명을 통한 상한절환 오차 모델링)

  • 김민석
    • Proceedings of the Korean Society of Machine Tool Engineers Conference
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    • 1999.10a
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    • pp.371-376
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    • 1999
  • Stick-slip friction is present to some degree in almost all actuators and mechanisms and is often responsible for performance limitations. Simulation of stick-slip friction is difficult because of strongly nonlinear behavior in the vicinity of zero velocity. A straightforward method for representing and simulating friction effects is presented. True zero velocity sticking is represented without equation reformulation or the introduction of numerical stiffness problems. Stick-slip motion is investigated experimentally, and the fundamental characteristics of the stick-slip motion are clarified. Based on these experimental results, the characteristics of static in the period of stick and kinetic friction in the period of slip are studied concretely so as to clarify the stick-slip process.

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