• Bulletin of the Korean Chemical Society
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• 제12권1호
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• pp.17-22
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• 1991

Fourier transform infrared spectroscopy has been applied to the characterization of titania supported molybdena. The equilibrium adsorption method seemed to produce molybdena species homogeneously dispersed on the support. Even under an oxidizing environment, molybdena species appeared to be able to possess coordinatively unsaturated $Mo^{5+}$ ions owing to the natures of TiO$_2$, i.e. oxygen deficiency and permeability toward oxygen diffusion. At the initial stage of reduction, the terminal double bond oxygen ( Mo=O ) seemed to be removed, generating presumably $Mo^{4+}$. The carbonyl bands at 2198 and 2190 $cm^{-1}$ observed after CO exposure were attributed to the $Mo^{5+}{\cdots}CO\;and\;Mo^{4+}\;{\cdots}CO$ complexes, respectively, while the band pair at 2136 and 2076 $cm^{-1}$ to $Mo^{4+}(CO)_2$.

• Bulletin of the Korean Chemical Society
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• 제11권2호
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• pp.99-105
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• 1990

The Gutmann acceptor number(AN), solvatochromic parameters $({\alpha},{\beta}\;and\;{\pi}^{\ast})$ and hydrogen bonding equilibrium constants (KHB) were determined for three binary systems of methanol with 1,2-dimethoxyethane(DME), 1,2-dichloroethane(DCE) and pyridine (PYD). The solvolysis rate constants of t-butyl chloride, bromide and iodide were also determined in the three binary systems. Solvent properties and solvolysis rates have been discussed in the light of various solvent parameters. Solvolysis of t-butyl halides are most conveniently explained by the two-stage mechanism involving ion-pair intermediate with the ion-pair formation for chloride and ion pair dissociation for iodide as rate limiting.

• International Journal of Computer Science & Network Security
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• 제22권6호
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• pp.91-96
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• 2022

The photocatalytic degradation of salicylic acid takes place in several stages involving coupled phenomena, such as the transport of molecules and the chemical reaction. The systems of transport equations and the photocatalytic reaction are numerically solved using COMSOL Mutiphysics (CM) simulation software. CM will make it possible to couple the phenomena of flow, the transport of pollutants (salicylic acid) by convection and diffusion, and the chemical reaction to the catalytic area (bauxite or TiO2 doped by nanoparticles). The simulation of the conversion rate allows to correctly fit the experimental results. The temporal simulation shows that the reaction reaches equilibrium after a transitional stage lasting over one minute. The outcomes of the study highlight the importance of diffusion in the boundary layer and the usefulness of injecting micro-agitation into the microchannel flow. Under such conditions, salicylic acid degrades completely.

• 대한토목학회논문집
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• 제8권3호
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• pp.61-71
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• 1988

본 연구에서는 하상이 경년별로 변화함에 따라 발생되는 수위-유량 관계곡선의 오차를 보완코자 현 하도상태에 대한 기준 수위-유량 관계곡선을 개발하여 일원화시키고, 과거의 하상상태와 경년별로 작성되어 왔던 수위-유량 관계곡선들과의 관계 및 수위, 단면적, 유속 등에 대한 수리기하학적 특성을 분석하였다. 연구의 대상지점으로는 한강 종합개발 사업 이후 하도단면이 크게 변화된 안도교지점을 택하였으며 개발 이후의 현 단면(1987년)을 동적평형 상태로 가정하여 분석을 진행하였다. 1987년도의 유량측정 자료를 이용하여 기준 수위-유량 관계곡선을 개발하고, 과거의 실측유량값을 현 상태하에서의 유량으로 환산하였을 때 얻어지는 수위(환산수위)와 과거수위와의 관계 및 환산유속과 과거유속간의 관계 그리고 수위-통수단면적 관계, 수위-유속 관계 등의 상관식을 유도하여 기왕의 많은 자료들을 앞으로도 활용할 수 있도록 상관해석 하였다.

• Nuclear Engineering and Technology
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• 제52권2호
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• pp.279-286
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• 2020

In this article, we develop a reactive distillation (RD) column configuration for the production of hydrogen. This RD column is in the HI decomposition section of the sulphur - iodine (SI) thermochemical cycle, in which HI decomposition and H₂ separation take place simultaneously. The section plays a major role in high hydrogen production efficiency (that depends on reaction conversion and separation efficiency) of the SI cycle. In the column simulation, the rigorous thermodynamic phase equilibrium and reaction kinetic model are used. The tuning parameters involved in phase equilibrium model are dependent on interactive components and system temperature. For kinetic model, parameter values are adopted from the Aspen flowsheet simulator. Interestingly, there is no side reaction (e.g., solvation reaction, electrolyte decomposition and polyiodide formation) considered aiming to make the proposed model simple that leads to a challenging prediction. The process parameters are determined on the basis of optimal hydrogen production as reflux ratio = 0.87, total number of stages = 19 and feeding point at 8th stage. With this, the column operates at a reasonably low pressure (i.e., 8 bar) and produces hydrogen in the distillate with a desired composition (H₂ = 9.18 mol%, H₂O = 88.27 mol% and HI = 2.54 mol%). Finally, the results are compared with other model simulations. It is observed that the proposed scheme leads to consume a reasonably low energy requirement of 327 MJ/kmol of H₂.

• 대한조선학회지
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• 제22권1호
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• pp.21-30
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• 1985

This paper deals whth the buckling as well as postbuckling analysis of axisymmertric shells taking the initial deflection effects into account. Incremental equilibrium equations, based on the principle of virtual work, were derived by the finite element method, the successive step-by-step Newton-Raphson iterative technique was adopted. To define the transition pattern of postbuckling behavior from the prebuckling state more accurately, a simple solution method was developed, i.e. the critical load was calculated by the load extrapolation method with the determinant of tangent stiffness matrix and the equilibrium configuration in the immediate postbuckling stage was obtained by perturbation scheme and eigenvalue analysis. Degenerated isoparametric shell elements were used to analyse the axisymmetric shell of revolution. And by the method developed in this paper, the computer program applicable to the nonlinear analysis of both thin and moderately thick shells was constructed. To verify the capabilities and accuracies of the present solution method, the computed results were compared with the results of analytical solutions. These results coincided fairly well in both the small deflection and large deflection ranges. Various numerical analyses were done to show the effect of initial deflection and shape of shells on buckling load and postbuckling behavior. Futhermore, corrected directions of applied loads at every increment steps were used to determine the actual effects of large deflection in non-conservative load systems such as hydrostatic pressure load. The following conclusions can be obtained. (1) The method described in this paper was found to be both economic and effective in calculating buckling load and postbuckling behavior of shell structure. (2) Buckling and postbuckling behavior of spherical caps is critically dependent upon their geometric configuration, i.e. the shape of spherical cap and quantities of the initial deflection. (3) In the analysis of large deflection problems of shells by the incremental method, corrections of the applied load directions are needed at every incremental step to compensate the follower force effects.

• 천문학회보
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• 제37권2호
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• pp.101.2-101.2
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• 2012

Shocks are ubiquitous in astrophysical plasmas: bow shocks are formed by the interaction of solar wind with planetary magnetic fields, and supernova explosions and jets produce shocks in interstellar and intergalactic spaces. The global morphologies of these shocks are usually described by a set of magnetohydrodynamic (MHD) equations which tacitly assumes local thermal equilibrium, and the resulting Rankine-Hugoniot shock jump conditions are applied to obtain the relationship between the upstream and downstream physical quantities. While thermal equilibrium can be achieved easily in collisional fluids, it is generally believed that collisions are infrequent in astrophysical settings. In fact, shock widths are much smaller than collisional mean free paths and a variety of kinetic phenomena are seen at the shock fronts according to in situ observations of planetary shocks. Hence, both the MHD and kinetic equations have been adopted in theoretical and numerical studies to describe different aspects of the physical phenomena associated with astrophysical shocks. In this paper, we present the results of 3D relativistic particle-in-cell (PIC) simulations for ion-electron plasmas, with focus on the shock structures: when a jet propagates into an unmagnetized ambient plasma, a shock forms in the nonlinear stage of the Weibel instability. As the shock shows the structures that resemble those predicted in MHD systems, we compare the results with those predicted in the MHD shocks. We also discuss the thermalization processes of the upstream flows based on the time evolutions of the phase space and the velocity distribution, as well as the wave spectra analyses.

• 대한금속재료학회지
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• 제46권4호
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• pp.257-266
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• 2008

AHydrogen induced cracking (HIC) was phenomenologically studied in terms of the effect of nonmetallic inclusions and hot rolling process parameters. By comparing the level of non-metallic inclusions in two different kinds of commercial grade steels having different HIC resistance, the role of non-metallic inclusions in HIC occurrence was investigated. Change in inclusion morphology and distribution during hot rolling was also studied throughout slab, rolling at austenite recrystallization region (roughing mill; RM) and rolling at austenite non-recrystallization region (finish mill; FM). In addition, the contribution of RM and FM parameters to HIC was investigated from the standpoint of change in inclusion morphology during hot rolling processes. As a result, HIC was closely related to the separation of large complex inclusion during hot rolling process. Large complex inclusions originated from the improper Ca treatment, after which equilibrium composition of slag should have resulted in eutectoid composition. By controlling the equilibrium slag composition equivalent to eutectoid one, HIC resistance could be improved due to the reduced size of inclusions. In addition, change in reduction/pass in RM had an effect on HIC resistance of steels while that in FM did not. Increase in the reduction/pass in the latter stage of RM improved HIC resistance of steels by enhancing the void enclosure around inclusions.

• 지질공학
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• 제14권3호
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• pp.259-272
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• 2004

이 연구는 임해지역 지하원유비축기지 주변에서의 지하수 수리화학적 변화를 관측하여 원유저장 후 운영에 따른 저장공동의 기밀성 확보에 수질화학적 영향을 평가하고자 한다. 연구지역의 모암은 편마암이지만 바다와 호수를 끼고 있어 지하수의 화학조성은 모암의 영향보다 해수의 혼합, 수벽공 주입수, 그라우팅 재료의 용해와 같은 외적인 요소에 의해 상당한 영향을 받은 것으로 보인다. 4차례에 걸친 지하수의 수질분석 결과 측정시 기와 관측정에 따라서 큰 수질변화를 보인다. 전반적 인 지하수의 특성은 알카리성의 높은 전기전도도 값을 보이고, 일부 관측정 지하수는 고알카리성과 고염분의 특성을 보인다. 지하수의 화학적 유형은 Na-Cl형 > Ca-Cl 형 > $Ca-HCO_3(CO_3)$형의 순으로 우세한 경향을 보인다. 열역학적 평형관계를 계산해 본 결과 대부분의 지하수가 탄산염광물에 대해서는 침전성 환경을 앨바이트에 대해서는 용해성 환경을 보인다. 그러나 단열의 충전효과가 큰 점토광물의 침전은 거의 확인되지 않아 암반 단열의 밀봉효과와 그로 인한 기밀성 확보에는 큰 효과가 없을 것으로 보인다. 총유기탄소량 (TOC)은 원유저장 후 약간의 증가하는 경향을 보인다. 관측정 지하수의 $EpCO_2$ 함량은 0$\~$41.3의 범위를 보여 원유에 혼합으로 발생될 수 있는 높은 이산화탄소의 압력은 현재로서는 거의 무시할 수 있다.

• 공업화학
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• 제20권2호
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• pp.159-164
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• 2009

제5류 위험물에 속하며 폭발성기를 가진 azido기$(-CH_2N_3)$, nitrato기$(-CH_2ONO_2)$ 그리고 hydrazino기$(-CH_2N_2H_3)$로 치환된 옥세탄 고폭 화약류의 단량체들을 산 촉매하의 중합반응에 관하여 반응성, 반응메카니즘, 반응과정에 대하여 알아보고자 형식전하, 생성열, 에너지 준위를 반경험적인 MINDO/3, MNDO, AM1 방법 등을 사용하여 이론적으로 고찰하였다. 옥세탄 고폭 화약류의 친핵성 및 염기성은 옥세탄 산소원자의 음전하크기로 설명할 수 있고, 산 촉매하의 중합반응은 성장단계에서 옥세탄의 반응성은 중심 탄소원자의 양전하크기와 친전자체의 낮은 LUMO 에너지에 좌우됨을 알 수 있었다. 옥세탄 고폭 화약류의 전환되는 과정은 oxonium 이온과 carbenium이온의 안정화 에너지(13.90~31.02 Kcal/mole)를 비교하여 보면 carbenium 이온이 더 유리함을 예측 할 수 있었다. 또한, 평형상태에서 oxonium 이온과 carbenium 이온의 농도가 반응 메카니즘을 좌우하며, 산 촉매하의 중합반응 형태와 계산을 기초로 하여 빠른 평형을 예상하여 볼 때 선폴리머(prepolymer) 성장단계에서 $S_N1$ 메카니즘이 $S_N2$ 메카니즘보다 빠르게 반응 할 것으로 예측되었다.