• Title/Summary/Keyword: reaction path

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Design of Path Tracking Controller Based on Thrusters for the Lunar Lander Demonstrator (달 착륙선 지상시험모델의 경로 추종을 위한 추력기 기반 제어기 설계)

  • Kim, Kwang-Jin;Lee, Jeong-Sook;Lee, Sang-Chul;Ko, Sang-Ho;Rhyu, Dong-Young;Ju, Gwang-Hyeok
    • Journal of the Korean Society for Aviation and Aeronautics
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    • v.19 no.4
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    • pp.37-43
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    • 2011
  • Lunar exploration program has been prepared with the aim of launch in the 2020's. As part of it, a lunar lander demonstrator has been developed which is the model for verifying all the system, such as structure, propulsion and control system before launch to deep space. After verifying all the system, the demonstrator will be evaluated by flight test. This paper deals with path tracking controller based on thrusters for the demonstrator. For this, first we derive equations of motion according to the allocation of thrusters and design the path tracking controller. The signal generated from the controller is continuous so PWPF(Pulse-Width Pulse-Frequency) modulator is adopted for generating on/off signal. Finally MATLAB simulation is performed for evaluating the path tracking ability and the final landing velocity.

Theoretical Studies on the Competitive Sn2 Reactions of O-Imidomethyl Derivatives of Phenols with OH-

  • Kim, Chang Gon;Jeong, Dong Su;Kim, Chan Gyeong;Lee, Bon Su;Jeong, Yeong Jin;Lee, Byeong Jun;Lee, Ik Jun
    • Bulletin of the Korean Chemical Society
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    • v.22 no.1
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    • pp.25-29
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    • 2001
  • Nucleophilic substitution reactions of O-imidomethyl derivatives of phenols with OH- were studied theoretically using the semiempirical AM1 and Solvation Model 2.1 (SM2.1) methods in the gas phase and aqueous solution, respectively. In the gas phase, the two reaction paths, in which the imide (1a) or phenol (1b) is functioning as a leaving group, can occur competitively. In contrast, in aqueous solution, path (1b) becomes more favorable than (1a) because the transition states (TS) of path (1b) are more stabilized by solvent. Differences in solvation energies are caused by the structural differences of TS, i.e., the TS via path (1b) is more dissociative than that via path (1a). Therefore we conclude that the solvent effects play an important role in the hydrolysis of O-imidomethyl derivatives of phenols. However, reactivity is dependent on the acidities of both the imide and the phenol fragments since the ρz values vary progressively from 4.2 (Z' = I) to 2.5 (Z' = IV) as the acidities of imide increase. These are in good agreement with the experimental results.

Temperature Analysis of Electrostatic Chuck for Cryogenic Etch Equipment (극저온 식각장비용 정전척 쿨링 패스 온도 분포 해석)

  • Du, Hyeon Cheol;Hong, Sang Jeen
    • Journal of the Semiconductor & Display Technology
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    • v.20 no.2
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    • pp.19-24
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    • 2021
  • As the size of semiconductor devices decreases, the etching pattern becomes very narrow and a deep high aspect ratio process becomes important. The cryogenic etching process enables high aspect ratio etching by suppressing the chemical reaction of reactive ions on the sidewall while maintaining the process temperature of -100℃. ESC is an important part for temperature control in cryogenic etching equipment. Through the cooling path inside the ESC, liquid nitrogen is used as cooling water to create a cryogenic environment. And since the ESC directly contacts the wafer, it affects the temperature uniformity of the wafer. The temperature uniformity of the wafer is closely related to the yield. In this study, the cooling path was designed and analyzed so that the wafer could have a uniform temperature distribution. The optimal cooling path conditions were obtained through the analysis of the shape of the cooling path and the change in the speed of the coolant. Through this study, by designing ESC with optimal temperature uniformity, it can be expected to maximize wafer yield in mass production and further contribute to miniaturization and high performance of semiconductor devices.

Smart Synthetic Path Search System for Prevention of Hazardous Chemical Accidents and Analysis of Reaction Risk (반응 위험성분석 및 사고방지를 위한 스마트 합성경로 탐색시스템)

  • Jeong, Joonsoo;Kim, Chang Won;Kwak, Dongho;Shin, Dongil
    • Korean Chemical Engineering Research
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    • v.57 no.6
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    • pp.781-789
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    • 2019
  • There are frequent accidents by chemicals during laboratory experiments and pilot plant and reactor operations. It is necessary to find and comprehend relevant information to prevent accidents before starting synthesis experiments. In the process design stage, reaction information is also necessary to prevent runaway reactions. Although there are various sources available for synthesis information, including the Internet, it takes long time to search and is difficult to choose the right path because the substances used in each synthesis method are different. In order to solve these problems, we propose an intelligent synthetic path search system to help researchers shorten the search time for synthetic paths and identify hazardous intermediates that may exist on paths. The system proposed in this study automatically updates the database by collecting information existing on the Internet through Web scraping and crawling using Selenium, a Python package. Based on the depth-first search, the path search performs searches based on the target substance, distinguishes hazardous chemical grades and yields, etc., and suggests all synthetic paths within a defined limit of path steps. For the benefit of each research institution, researchers can register their private data and expand the database according to the format type. The system is being released as open source for free use. The system is expected to find a safer way and help prevent accidents by supporting researchers referring to the suggested paths.

The study on physical factors related with emotional reaction on the flying path (나는(flying) 궤적(path)에 있어서 감성반응을 일으키는 물리적 속성(요소)에 대한 연구)

  • Kim, Do-Yun;Jeong, Jea-Wook
    • Archives of design research
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    • v.18 no.4 s.62
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    • pp.139-146
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    • 2005
  • Animation works have been peformed by the objective sensitivity and experience so far. Software designs have been also manufactured based on intelligent data because they are easy to objectify and digitalize. In contrast, there are many elements, which human senses are hard to objectify and digitalize. This study investigates how to digitalize and objectify human senses and how to use them as the quantitative data and its subject is a flying path. In the experiment, this study collects some sensitive words for how human beings express the living path. The evaluation words for sensitivity through the collected sensitive words are extracted and the sketch images for the flying path are collected from the extracted evaluation words for sensitivity. Based on the collected sketch images, the samples of real moving image, which are the core of this study, are manufactured. Then, quantification theory III and I are used in order to analyze the correlation between the sensitive words representing the flying path and the samples of moving image. As a result, this study can figure out the structure of sensitive words and the samples of moving image and analyze the physical stimulating elements for the flying path. The flying path corresponds to the path that the object has passed. Some unique sensitive words are expressed by means of interacting some sensitive stimulating elements after looking at such a path. There are some elements that stimulate the senses and they include the physical elements such as speed, rotation, pattern and length of arc. The purpose of this study is to objectify and quantify the animation works that are created by animators' subjective thought and experience and to use them in animation works in the future.

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TDDFT Potential Energy Functions for Excited State Intramolecular Proton Transfer of Salicylic Acid, 3-Aminosalicylic Acid, 5-Aminosalicylic Acid, and 5-Methoxysalicylic Acid

  • Jang, Sung-Woo;Jin, Sung-Il;Park, Chan-Ryang
    • Bulletin of the Korean Chemical Society
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    • v.28 no.12
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    • pp.2343-2353
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    • 2007
  • We report the application of time-dependent density functional theory (TDDFT) to the calculation of potential energy profile relevant to the excited state intramolecular proton transfer (ESIPT) processes in title molecules. The TDDFT single point energy calculations along the reaction path have been performed using the CIS optimized structure in the excited state. In addition to the Stokes shifts, the transition energies including absorption, fluorescence, and 0-0 transition are estimated from the TDDFT potential energy profiles along the proton transfer coordinate. The excited state TDDFT potential energy profile of SA and 3ASA resulted in very flat function of the OH distance in the range ROH = 1.0-1.6 A, in contrast to the relatively deep single minimum function in the ground state. Furthermore, we obtained very shallow double minima in the excited state potential energy profile of SA and 3ASA in contrast to the single minimum observed in the previous work. The change of potential energy profile along the reaction path induced by the substitution of electron donating groups (-NH2 and -OCH3) at different sites has been investigated. Substitution at para position with respect to the phenolic OH group showed strong suppression of excited state proton dislocation compared with unsubstitued SA, while substitution at ortho position hardly affected the shape of the ESIPT curve. The TDDFT results are discussed in comparison with those of CASPT2 method.

Ab Initio Study on the Thermal Decomposition of CH3CF2O Radical

  • Singh, Hari Ji;Mishra, Bhupesh Kumar;Gour, Nand Kishor
    • Bulletin of the Korean Chemical Society
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    • v.30 no.12
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    • pp.2973-2978
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    • 2009
  • The decomposition reaction mechanism of $CH_3CF_2O$ radical formed from hydroflurocarbon, $CH_3CHF_2$ (HFC-152a) in the atmosphere has been investigated using ab-initio quantum mechanical methods. The geometries of the reactant, products and transition states involved in the decomposition pathways have been optimized and characterized at DFT-B3LYP and MP2 levels of theories using 6-311++G(d,p) basis set. Calculations have been carried out to observe the effect of basis sets on the optimized geometries of species involved. Single point energy calculations have been performed at QCISD(T) and CCSD(T) level of theories. Out of the two prominent decomposition channels considered viz., C-C bond scission and F-elimination, C-C bond scission is found to be the dominant path involving a barrier height of 12.3 kcal/mol whereas the F-elimination path involves that of a 28.0 kcal/mol. Using transition-state theory, rate constant for the most dominant decomposition pathway viz., C-C bond scission is calculated at 298 K and found to be 1.3 ${\times}$ 10$^4s{-1}$. Transition states are searched on the potential energy surfaces involving both decomposition channels and each of the transition states are characterized. The existence of transition states on the corresponding potential energy surface are ascertained by performing Intrinsic Reaction Coordinate (IRC) calculation.

Numerical Study on the NH3/CH4 Symmetric Premixed Counterflow Flames Part II: Investigation of Flame Structure and Reaction Path (암모니아/메탄 예혼합 대향류 대칭 화염에 관한 수치 해석적 연구: Part II 화염의 구조 및 반응 경로 해석 )

  • JINSEONG KIM;KEEMAN LEE
    • Transactions of the Korean hydrogen and new energy society
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    • v.34 no.6
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    • pp.748-757
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    • 2023
  • Numerical analysis was conducted to confirm the characteristics of extinction behavior in NH3/CH4 counterflow symmetrical flames. Numerical simulations were run on CHEMKIN-PRO, using the OPPDIF code, with Okafor's mechanisms, which had the lowest error rate compared to Colson's experimental data in the our previous part I study. The chemical interactions of merged flames were examined by analyzing the production rate of major chemical species and key radicals with the volume fractional percentage of ammonia and global strain rate. The interaction phenomenon of the flames could be identified by observing the main chemical reaction path of the merged flames at the stagnation plane.

Propane Dehydrogenation over a Hydrogen Permselective Membrane Reactor

  • Chang, Jong-San;Roh, Hyun-Seog;Park, Min-Seok;Park, Sang-Eon
    • Bulletin of the Korean Chemical Society
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    • v.23 no.5
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    • pp.674-678
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    • 2002
  • The dehydrogenation of propane to propylene has been studied in an isothermal high-temperature shell-and-tube membrane reactor containing a Pd-coated ${\psi}$-Al2O3 membrane and a Pt/K/Sn/Al2O3 packed catalyst . A tubular Pd-coated ${\psi}$-Al2O3 membrane was prepared by an electroless plating method. This membrane showed high hydrogen to nitrogen permselectivities (PH2N2 = 10-50) at 400 $^{\circ}C$ and 500 $^{\circ}C$ with various transmembrane pressure drops. The employment of a membrane reactor in the dehydrogenation reaction, which selectively separates hydrogen from the reaction mixture along the reaction path, can greatly increase the conversion and enable operation of the reactor at lower temperatures. High hydrogen permselectivity has been confirmed as a key factor in determining the reactor performance of conversion enhancement.

Sequential pattern load modeling and warning-system plan in modular falsework

  • Peng, Jui-Lin;Wu, Cheng-Lung;Chan, Siu-Lai
    • Structural Engineering and Mechanics
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    • v.16 no.4
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    • pp.441-468
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    • 2003
  • This paper investigates the structural behavior of modular falsework system under sequential pattern loads. Based on the studies of 25 construction sites, the pattern load sequence modeling is defined as models R (rectangle), L and U. The study focuses on the system critical loads, regions of largest reaction forces, discrepancy between the pattern load and the uniform load, and the warning-system plan. The analysis results show that the critical loads of modular falsework systems with sequential pattern loads are very close to those with the uniform load used in design. The regions of largest reaction forces are smaller than those calculated by the uniform load. However, the regions of largest reaction forces of three models under sequential pattern loads can be considered as the crucial positions of warning-system based on the measured index of loading. The positions of the sensors for the warning-system for these three different models are not identical.