• Title/Summary/Keyword: Nonequilibrium

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A Theoretical Representation of Relaxation Processes in Complex Spin System Using Liouville Space Method

  • Kyunglae Park
    • Bulletin of the Korean Chemical Society
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    • v.14 no.1
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    • pp.21-29
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    • 1993
  • For the study of relaxation processes in complex spin system, a general master equation, which can be used to simulate a vast range of pulse experiments, has been formulated using the Liouville representation of quantum mechanics. The state of a nonequilibrium spin system in magnetic field is described by a density vector in Liouville space and the time evolution of the system is followed by the application of a linear master operator to the density vector in this Liouville space. In this master equation the nuclear spin relaxation due to intramolecular dipolar interaction or randomly fluctuating field interaction is explicitly implemented as a relaxation supermatrix for a strong coupled two-spin (1/2) system. The whole dynamic information inherent in the spin system is thus contained in the density vector and the master operator. The radiofrequency pulses are applied in the same space by corresponding unitary rotational supertransformations of the density vector. If the resulting FID is analytically Fourier transformed, it is possible to represent the final nonstationary spectrum using a frequency dependent spectral vector and intensity determining shape vector. The overall algorithm including relaxation interactions is then translated into an ANSIFORTRAN computer program, which can simulate a variety of two dimensional spectra. Furthermore a new strategy is tested by simulation of multiple quantum signals to differentiate the two relaxation interaction types.

Adsorption of copper ions from aqueous solution using surface modified pine bark media (표면개질된 소나무 수피를 이용한 수용액의 구리이온 흡착)

  • Park, Se-Keun;Kim, Yeong-Kwan
    • Journal of Korean Society of Water and Wastewater
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    • v.33 no.2
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    • pp.131-140
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    • 2019
  • This study used a packed column reactor and a horizontal flow mesh reactor to examine the removal of copper ions from aqueous solutions using pine bark, a natural adsorbent prepared from Korean red pine (Pinus densiflora). Both equilibrium and nonequilibrium adsorption experiments were conducted on copper ion concentrations of 10mg/L, and the removals of copper ions at equilibrium were close to 95%. Adsorption of copper ions could be well described by both the Langmuir and Freundlich adsorption isotherms. The bark was treated with nitric acid to enhance efficiency of copper removal, and sorption capacity was improved by about 48% at equilibrium; mechanisms such as ion exchange and chelation may have been involved in the sorption process. A pseudo second-order kinetic model described the kinetic behavior of the copper ion adsorption onto the bark. Regeneration with nitric acid resulted in extended use of spent bark in the packed column. The horizontal flow mesh reactor allowed approximately 80% removal efficiency, demonstrating its operational flexibility and the potential for its practical use as a bark filter reactor.

Decomposition Behavior of Secondary Solidification Phase During Heat Treatment of Squeeze Cast Al-Cu-Si-Mg (용탕단조 Al-Cu-Si-Mg합금의 열처리시 제2응고상의 분해거동)

  • Kim, Yu-Chan;Kim, Do-Hyang;Han, Yo-Sub;Lee, Ho-In
    • Journal of Korea Foundry Society
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    • v.17 no.6
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    • pp.560-568
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    • 1997
  • The dissolution behavior of secondary solidification phases in squeeze cast Al-3.9wt%Cu-1.5wt%Si-1.0wt%Mg has been studied using a combination of optical microscope, image analyzer, scanning electron microscope(SEM), energy dispersive spectrometer(EDS), X-ray diffractometer(XRD) and differential thermal analyzer (DTA). Special emphasis was placed on the investigation of the effects of the nonequilibrium heat treatment on the dissolution of the second solidification phases. Ascast microstructure consisted of primary solidification product of ${\alpha}-Al$ and secondary solidification products of $Al_2Cu$, $Mg_2Si$ and $Al_2CuMg$. Equilibrium and non-equilibrium solution treatments were carried out at the temperatures of $495^{\circ}C$, $502^{\circ}C$ and $515^{\circ}C$ for 3 to 5 hours. The amount of the dissolved secondary phases increased with increasing solution treatment temperature, for example, area fractions of $Al_2Cu$, $Mg_2Si$ and $Al_2CuMg$ were approximately 0%, 1.6% and 4.2% after solution treatment at $495^{\circ}C$ for 5hours, and were approximately 0%, 0.36% and 2% after solution treatment at $515^{\circ}C$ for 5hours. The best combination of tensile properties was obtained when the as-cast alloy was solution treated at $515^{\circ}C$ for 3hours followed by aging at $180^{\circ}C$ for 10 hours. Detailed DTA and TEM study showed that the strengthening behavior during aging was due to enhanced precipitation of the platelet type fine ${\theta}'$ phase.

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Numerical Simulation of Surface Tension-Dominant Multiphase Flows by Using Volume-Capturing Method and Unstructured Grid System (비정렬격자계와 체적포착법을 사용한 표면장력이 지배적인 다상유동 수치해석)

  • Myong, Hyon-Kook
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.35 no.7
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    • pp.723-733
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    • 2011
  • A numerical method of the CSF(Continuum Surface Force) model is presented for the calculation of the surface tension force and implemented in an in-house solution code(PowerCFD). The present method(code) employs an unstructured cell-centered method based on a conservative pressure-based finite-volume method with volume capturing method(CICSAM) in a volume of fluid(VOF) scheme for phase interface capturing. The application of the present method to a 2-D liquid drop problem is illustrated by an equilibrium and nonequilibrium oscillating drop calculation. It is found that the present method simulates efficiently and accurately surface tension-dominant multiphase flows.

Study on the Passive Shock/Boundary Layer Interaction Control in Transonic Moist Air Flow (습공기 유동에서 발생하는 충격파와 경계층 간섭의 피동제어에 관한 연구)

  • Baek, Seung-Cheol;Kwon, Soon-Bum;Kim, Heuy-Dong
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.30 no.8
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    • pp.21-29
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    • 2002
  • In the present study, a passive control method, using a porous wall and cavity system, is applied to the shock wave/boundary layer interactions in transonic moist air flow. The two-dimensional, unsteady, compressible, Navier-Stokes equations, which are fully coupled with a droplet growth equation, are solved by the third-order MUSCL type TVD finite difference scheme. Baldwin-Lomax model is employed to close the governing equations. In order to investigate the effectiveness of the present control method, the total pressure loss of the flow and the time-dependent behaviour of shock motions are analyzed in detail. The computed results show that the present passive control method considerably reduces the total pressure losses due to the shock wave/boundary layer interaction in transonic moist air flow and suppresses the unsteady shock wave motions over the airfoil as well. It is also found that the location of the porous ventilation significantly affects the control effectiveness.

The Hybrid Rocket Internal Ballistics with Two-phase Fluid Modeling for Self-pressurizing $N_2O$ I (자발가압 성질을 가진 아산화질소의 2상유체 모델링을 통한 하이브리드 로켓 내탄도 해석 I)

  • Lee, Jung-Pyo;Rhee, Sun-Jae;Woo, Kyoung-Jin;Oh, Ji-Sung;Jung, Sik-Hang;Moon, Hee-Jang;Sung, Hong-Gye;Kim, Jin-Kon
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2011.11a
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    • pp.45-49
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    • 2011
  • The blow-down oxidizer feed system with self-pressurizing $N_2O$ has more advantages than the regulated system. However, it is difficult to predict the exhaust flow rate because there exist two phases in the $N_2O$ tank - liquid phase and gas phase, and the properties of $N_2O$ in storage tank are varied continuously during blow-down. In this paper, a method that can analyse simply the blow-down oxidizer feed system is studied. The properties of saturated $N_2O$ are found from the NIST data base, and mass flow through the orifice is modeled as NHNE. Cold flow test with hybrid rocket combustor is performed for the comparison where the results should found from the good agreement.

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A Study on Transport Characteristics of Fe in Soil (토양 내 철의 이동특성에 관한 연구)

  • Cho, Ki-Chul;Lee, Kyeong-Ho;Choung, Young-Heon;Cho, Sang-Won;Oh, Kwang-Joong
    • Journal of Korean Society of Environmental Engineers
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    • v.27 no.10
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    • pp.1043-1051
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    • 2005
  • In this stduy, adsorption and transport characteristics of Fe in the soil were investigated using convection-dispersion local equilibrium sorption model and two-site non-equilibrium sorption model. In batch experiments with different Fe concentration, characteristics of Fe adsorption was investigated using Freundlich and linear isotherm. Column experiments with different flow rate, organic matter content md Fe concentration were also carried out. We measured Fe concentrations in injection-liquid and in effluent, and then applied them to CXTFIT program. As a result of column experiments, some parameters(D, R, ${\beta}$, ${\omega}$) used in two-site non-equilibrium adsorption model were obtained. Characteristics of Fe transport were analyzed using the parameters(D, R, ${\beta}$, ${\omega}$) obtained from the CXTFIT program, Consequently, characteristics of Fe transport in the soil were predicted through two-site non-equilibrium adsorption model.

Premixture Composition Optimization for the Ram Accelerator Performance Enhancement (램 가속기 성능 향상을 위한 예 혼합기 조성비 최적화에 관한 연구)

  • 전용희;이재우;변영환
    • Journal of the Korean Society of Propulsion Engineers
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    • v.4 no.2
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    • pp.21-30
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    • 2000
  • Numerical design optimization techniques are implemented for the improvement of the ram accelerator performance. The design object is to find the minimum ram tube length required to accelerate projectile from initial velocity $V_o$ to target velocity $V_e$. The premixture is composed of $H_2$, $O_2$, $N_2$ and the mole numbers of these species are selected as design variables. The objective function and the constraints are linearized during the optimization process and gradient-based Simplex method and SLP(Sequential Linear Programming) have been employed. With the assumption of two dimensional inviscid flow for internal flow field, the analyses of the nonequilibrium chemical reactions for 8 steps 7 species have been performed. To determined the tube length, ram tube internal flow field is assumed to be in a quasi-steady state and the flow velocity is divided into several subregions with equal interval. Hence the thrust coefficients and accelerations for corresponding subregions are obtained and integrated for the whole velocity region. With the proposed design optimization techniques, the total ram tube length had been reduced 19% within 7 design iterations. This optimization procedure can be directly applied to the multi-stage, multi-premixture ram accelerator design optimization problems.

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Study on the Thruster Plume Behaviors using Preconditioned Scheme and DSMC Method (예조건화 기법과 직접모사법을 이용한 추력기 플룸 거동에 관한 연구)

  • Lee, Kyun-Ho;Kim, Su-Kyum;Yu, Myoung-Jong
    • Aerospace Engineering and Technology
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    • v.8 no.1
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    • pp.144-153
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    • 2009
  • To study the plume effects in the rarefied region, the Direct Simulation Monte Carlo(DSMC) method is usually adopted because the plume field usually contains the entire range of flow regime from the near-continuum in the vicinity of nozzle exit through transitional state to free molecular at far field region from the nozzle. The objective of this study is to investigate the behaviors of a small monopropellant thruster plume in the rarefied region numerically using DSMC method. To deduce accurate results efficiently, the preconditioned scheme is introduced to calculate continuum flow fields inside thruster to predict nozzle exit properties used for inlet conditions of DSMC method. By combining these two methods, the rarefied flow characteristics of plume such as strong nonequilibrium near nozzle exit, large back flow region, etc, can be investigated.

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Fabrication of nonequilibrium alloy powders in immiscible Cu-Nb system by mechanical alloying (기계적 합금화에 의한 비고용 Cu-Nb계 비평형 합금의 제조)

  • Lee, Chung-Hyo
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.16 no.5
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    • pp.210-215
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    • 2006
  • Mechanical alloying (MA) by high energy ball mill of pure copper and niobium powders was carried out under the Ar gas atmosphere. The supersaturated solid solution can be produced in the range up to $Cu_xNb_{100-x}$(x=5-30) by MA for 120 hrs, as demonstrated by X-ray diffraction, DSC analysis and the electronic studies through a change in the superconducting transition in the low-temperature specific heat. The $Cu_{30}Nb_{70}$ samples ball-milled for 120 hrs exhibit only a broad exothermic heat release. The total energy, ${\Delta}H_t$ accumulated during MA far the mixture of $Cu_{30}Nb_{70}$ powders increased with milling time and approached the saturation value of 7.5 kJ/mol after 120 h of milling. It can be seen that the free energy difference between the supersaturated solid solution and the mixture of $Cu_{30}Nb_{70}$ powders is estimated to be 7 kJ/mol by Miedema et al. Hence it is thermodynamically possible to assume the formation of a supersaturated solid solution phase in this system.