• Title/Summary/Keyword: Thermodynamic control

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Intrinsic and Thermodynamic Effects on the Structure and Energy of the S$_N$2 Transition State$^*$

  • Lee, Ik-Choon;Seo, Heon-Su
    • Bulletin of the Korean Chemical Society
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    • v.7 no.6
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    • pp.448-453
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    • 1986
  • Two contributions to the activation barrier of the $S_N2$ reaction, intrinsic and thermodynamic, are discussed in connection with the predictive power of various rate-equilibrium relationships. It has been shown that the PES models can only give correct predictions of changes in structure and energy of the transition state if the activation barrier is dictated by the thermodynamic factor. We concluded that the identity and dissociative $S_N2$ reactions are dominated by the intrinsic component while associative $S_N2$ reactions are predominantly of thermodynamic controlled. Thus in the former cases, the PES models fail, whereas in the latter cases predictions based on the intrinsic factor, the quantum mechanical models, fail. Finally in a general case of equal contributions by thermodynamic and intrinsic factors, the $SN_2$ reaction proceeds by a synchronous process with zero net charge on the reaction center, for which predictions of substituent effects will be the same as for the intrinsic control case.

Thermodynamic model of one of the super heaters and the related spray in the Nekka power plant and Presenting SCO method to control boiler temperature

  • Zalloi, Mehdi;Barghandan, Saeed;Badamchizadeh, M.A.
    • 제어로봇시스템학회:학술대회논문집
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    • 2005.06a
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    • pp.129-133
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    • 2005
  • In this paper, first the thermodynamic model is presented to one of the super heaters and sprays of the Nekka power plant and then its unknown parameters are identified according to the registered data of the power plant. SCO control method is introduced to control the external steam temperature of super heater. Finally the conventional method in power plant for controlling external steam temperature of super heater is compared with new method and their performances are presented..

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Thermodynamic Analysis of Re-liquefaction Cycle of LNG Boil-off Gas (LNG 증발기체의 재액화 사이클에 대한 열역학 해석)

  • Chin, Young-Wook;Moon, Jeong-Woo;Lee, Yoon-Pyo;Chang, Ho-Myung
    • Korean Journal of Air-Conditioning and Refrigeration Engineering
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    • v.19 no.7
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    • pp.485-490
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    • 2007
  • The LNG BOG re-liquefaction system for LNG carriers was designed based on the Claude refrigeration cycle and the thermodynamic analysis was carried out in order to find the design point of the three heat exchangers constituting the system. The thermodynamic analysis revealed that the system state could be defined by the three cold endpoint temperatures of the three-pass heat exchanger. Hence the iso-lines of the specific liquefaction work, taken as the performance indicator, were presented in terms of those three temperatures and discussed. The system was found most economical when those three temperatures approached a single temperature of $-140^{\circ}C$ and thus this system state could be taken as the design point for the heat exchangers.

IDENTIFICATION OF THERMODYNAMIC PARAMETERS OF ARCTIC SEA ICE AND NUMERICAL SIMULATION

  • Xiw, Chao;Feng, Enmin;Li, Zhijun;Peng, Lu
    • Journal of applied mathematics & informatics
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    • v.26 no.3_4
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    • pp.519-530
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    • 2008
  • This paper studies the multi-domain coupled system of one dimensional Arctic temperature field and establishes identification model about the thermodynamic parameters of sea ice (heat storage capacity, density and conductivity) by the so-called output least-square estimate according to the temperature data acquired by a monitor buoy installed in the Arctic ocean. By the optimal control theory, the existence and dependability of weak solution and the identifiability of identification model have been given. Moreover, necessary optimality condition is proposed. Furthermore, the optimal algorithm for the identification model is constructed. By using the optimal thermodynamic parameters of Arctic sea ice, the numerical simulation is implemented, and the numerical results of temperature distribution of Arctic sea ice are demonstrated.

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A study on the thermodynamic analysis of combustion characteristics of diesel engine (디이젤機關 燃燒特性의 熱力學的 解析에 관한 硏究)

  • 이창식
    • Transactions of the Korean Society of Mechanical Engineers
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    • v.10 no.2
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    • pp.215-222
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    • 1986
  • This paper presents the results of investigation, the aim of which was to predict theoretically the processes of thermodynamic cycle of M-combustion chamber type diesel engine. The combustion characteristics in cylinder are evaluated from the energy equation for an thermodynamic system in engine cylinder. In order to predict the combustion pressure in cylinder, the engine is divided in various control volumes. The simulation results of combustion characteristics show that the comparison of computed and measured values brings about the good coincidence.

Thermodynamic Characteristics of an Aircraft Environmental Control System (항공기 환경제어 계통의 열역학적 특성)

  • 차재병;강병찬;오태식
    • Transactions of the Korean Society of Mechanical Engineers
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    • v.19 no.4
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    • pp.1116-1124
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    • 1995
  • Using a cycle simulation program developed by authors, some thermodynamic characteristics of an aircraft ECS under various operating conditions are studied. When the inlet temperature of cockpit and avionics bay, as well as ram air flow, is held fixed, the effect of the change of regulated bleed pressure is examined. When the regulated bleed pressure, and the cockpit and avionics bay inlet temperature are fixed, the effect of the change of ram air flow is also investigated.

A NOVEL MERHOO AND PROCEDURE FOR ON-LINE MEASUREMENT OF FLUID PROPERTIES FOR CONTROL AND OPTIMIZATION

  • Kaya, Azmi;Keyes, Marion-A.
    • 제어로봇시스템학회:학술대회논문집
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    • 1989.10a
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    • pp.844-847
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    • 1989
  • This work describes an on-line method and procedure for calculating the fluid properties in real time while system is in operation. The method utilizes function blocks of distributed control systems. Thermodynamic relations of fluid from tables along with a fluid property formula are imbedded into the proposed signal processing block. Once the pressure and temperature measurements are entered the system provides other properties.

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A Study on the Polymerization of Energetic Poly(NEO) (에너지를 함유한 선 폴리머인 poly(NEO) 제조 공정 연구)

  • Cheun Young Gu;Kim Jin Seuk
    • Journal of the Korea Institute of Military Science and Technology
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    • v.7 no.2 s.17
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    • pp.109-117
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    • 2004
  • We synthesized energetic prepolymer(2-nitrato ethyl oxirane, NEO) for plastic-bonded explosive and measured its thermodynamic parameters. 2-Nitrato ethyl oxirane(NEO) as a monomer was synthesized from 4-butene-ol, the first-step was preparation of 1-nitrate-3-butene and second-step was synthesized 2-nitrate-ethyl oxirane from 1nitrate-3-butene and then polymerized by cationic ring opening polymerization. The unreacted monomer concentration was measured by GC. The thermodynamic parameters were obtained from the ceiling temperature(Tc) values of 1 mole monomer at each reaction temperature. We varied feed rate of monomer, concentration of initiator and monomer to control molecular weight and polydispersity of perpolymer(NEO). Number average molecular weight(Mn), polydispersity(PD), and glass transition temperature(Tg), viscosity of prepolymer(NEO) were 2000, 1.07, $-55^{\circ}C$ and 300 poise respectively.

First-Principles Study on Thermodynamic Stability of UO2 with He Gas Incorporation via Alpha-Decay

  • Kwon, Choa;Lee, Kwanpyung;Han, Byungchan
    • Korean Chemical Engineering Research
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    • v.57 no.3
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    • pp.368-371
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    • 2019
  • Using first principles calculations we investigated the thermomechanical stability of spent nuclear fuels (SNF), especially how mechanical properties of $UO_2$, such as, bulk, shear and Young's moduli and Poisson's ratio vary through alpha-decay of U into Th with generation of He gas. Our results indicate that substitution of U by Th through alpha decay ($U_{1-x}Th_xO_2$) does not significantly affect the stability of the grain in a fuel matrix. In addition, we studied the transport properties of He in and boundaries of the $U_{1-x}Th_xO_2$ grain. Helium preferentially resides at the grain boundaries through diffusion. Our study can contribute to substantial reduction of environmentally risk and enhancement of our sustainability by safe control of radioactive materials.

Sensitivity Study of Simulated Sea-Ice Concentration and Thickness Using a Global Sea-Ice Model (CICE) (전구 해빙모델(CICE)을 이용한 해빙 농도와 해빙 두께 민감도 비교)

  • Lee, Su-Bong;Ahn, Joong-Bae
    • Atmosphere
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    • v.24 no.4
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    • pp.555-563
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    • 2014
  • The impacts of dynamic and thermodynamic schemes used in the Community Ice CodE (CICE), the Los Alamos sea ice model, on sea ice concentration, extent and thickness over the Arctic and Antarctic regions are evaluated. Using the six dynamic and thermodynamic schemes such as sea ice strength scheme, conductivity scheme, albedo type, advection scheme, shortwave radiation method, and sea ice thickness distribution approximation, the sensitivity experiments are conducted. It is compared with a control experiment, which is based on the fixed atmospheric and oceanic forcing. For sea ice concentration and extent, it is found that there are remarkable differences between each sensitivity experiment and the control run over the Arctic and Antarctic especially in summer. In contrast, there are little seasonal variations between the experiments for sea ice thickness. In summer, the change of the albedo type has the biggest influence on the Arctic sea ice concentration, and the Antarctic sea ice concentration has a greater sensitivity to not only the albedo type but also advection scheme. The Arctic sea ice thickness is significantly affected by the albedo type and shortwave radiation method, while the Antarctic sea ice thickness is more sensitive to sea ice strength scheme and advection scheme.