• 제목/요약/키워드: Thermodynamics and kinetics

검색결과 61건 처리시간 0.027초

Polysulfone에 Di-(2-ethylhexyl)phosphoric acid(D2EHPA)와 tri-butyl-phosphate(TBP)를 고정화하여 제조한 고체상 추출제에 의한 Sr(II)의 제거특성 (Removal Characteristics of Sr(II) by Solid-Phase Extractant Prepared by Immobilizing Di-(2-ethylhexyl)phosphoric acid (D2EHPA) and Tri-butyl-phosphate (TBP) in Polysulfone)

  • 감상규;전진우;이민규
    • 한국환경과학회지
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    • 제24권3호
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    • pp.267-274
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    • 2015
  • The feasibility of PS-D2EHPA/TBP beads prepared by immobilizing two extractants D2EHPA and TBP in polysulfone to remove Sr(II) from aqueous solution was investigated in batch system. Batch experiments were carried out to study equilibrium isotherms, kinetics, and thermodynamics. Equilibrium data were fitted using Langmuir, Freundlich, Redlich-Peterson, and Dubinin-Radushkevich equation models at temperatures of 298 K, 313 K, and 328 K. The removal capacity of Sr(II) by PS-D2EHPA/TBP beads obtained from Langmuir model was 2.41 mg/g at 298 K. The experimental data were well represented by pseudo-second-order model. The removal process of Sr(II) by PS-D2EHPA/TBP beads prepared in this study was found to be feasible, endothermic, and spontaneous.

Enhancement effect of phosphate and silicate on water defluoridation by calcined gypsum

  • Al-Rawajfeh, Aiman Eid;Alrawashdeh, Albara I.;Aldawdeyah, Asma;Hassan, Shorouq;Qarqouda, Ruba
    • Advances in environmental research
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    • 제2권1호
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    • pp.35-49
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    • 2013
  • Research work on removal of fluoride from water, referred to as water defluoridation, has resulted into the development of a number of technologies over the years but they suffer from either cost or efficiency drawbacks. In this work, enhancement effects of phosphate and silicate on defluoridation of water by low-cost Plaster of Paris (calcined gypsum) were studied. To our knowledge, the influence of silicate on defluoridation was not reported. It was claimed, that the presence of some ions in the treated water samples, was decreasing the fluoride removal since these ions compete the fluoride ions on occupying the available adsorption sites, however, phosphate and silicate ions, from its sodium slats, have enhanced the fluoride % removal, hence, precipitation of calcium-fluoro compounds of these ions can be suggested. Percentage removal of $F^-$ by neat Plaster is 48%, the electrical conductance (EC) curve shows the typical curve of Plaster setting which begins at 20 min and finished at 30 min. The addition of phosphate and silicate ions enhances the removal of fluoride to high extent > 90%. Thermodynamics parameters showed spontaneous fluoride removal by neat Plaster and Plaster-silicate system. The percentage removal with time showed second-order reaction kinetics.

비닐아세테이트 중합공정에서 원료물질의 열적 안정성 평가 (An Evaluation of Thermal Stability of Raw Materials in the Vinyl Acetate Polymerization Process)

  • 이근원;한인수;이정석
    • 한국안전학회지
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    • 제25권3호
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    • pp.61-65
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    • 2010
  • Most of the chemical reactions performed in the chemical industry are exothermic, meaning that thermal energy is released during the reaction. It is also important to understand the thermal hazards such as thermal stabilities and runaway reactions, which are governed by thermodynamics and reaction kinetics of the mixed materials. The paper was described the evaluation of thermal behavior caused by an exothermic batch process in manufacture of the vinyl acetate resin. The aim of the study was to evaluate the thermal stabilities of raw materials with operating conditions such as a reaction inhibitor, heating rate, reaction atmosphere and the mount of methanol charged in the vinyl acetate polymerization process. The experiments were performed in the differential scanning calorimeter(DSC), C 80 calorimeter, and thermal screening unit($TS^u$). It was suggested that we should provide the thermal characteristics for raw materials to present safe precautions with operating conditions in the vinyl acetate polymerization process.

Thermodynamic and experimental analyses of the oxidation behavior of UO2 pellets in damaged fuel rods of pressurized water reactors

  • Jung, Tae-Sik;Na, Yeon-Soo;Joo, Min-Jae;Lim, Kwang-Young;Kim, Yoon-Ho;Lee, Seung-Jae
    • Nuclear Engineering and Technology
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    • 제52권12호
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    • pp.2880-2886
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    • 2020
  • A small leak occurring on the surface of a fuel rod due to damage exposes UO2 to a steam atmosphere. During this time, fission gas trapped inside the fuel rod leaks out, and the gas leakage can be increased due to UO2 oxidation. Numerous studies have focused on the steam oxidation and its thermodynamic calculation in UO2. However, the thermodynamic calculation of the UO2 oxidation in a pressurized water reactor (PWR) environment has not been studied extensively. Moreover, the kinetics of the oxidation of UO2 pellet also has not been investigated. Therefore, in this study, the thermodynamics of UO2 oxidation under steam injection due to a damaged fuel rod in a PWR environment is studied. In addition, the diminishing radius of the UO2 pellet with time in the PWR environment was calculated through an experiment simulating the initial time of steam injection at the puncture.

입상 활성탄에 대한 New Fuchsin 염료흡착의 등온선, 동력학 및 열역학 파라미터에 관한 연구 (Isotherms, Kinetics and Thermodynamic Parameters Studies of New Fuchsin Dye Adsorption on Granular Activated Carbon)

  • 이종집
    • 공업화학
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    • 제25권6호
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    • pp.632-638
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    • 2014
  • 입상활성탄을 사용하여 new fuchsin 염료를 흡착하는데 필요한 흡착등온선과 흡착동역학 및 열역학 파라미터들에 대하여 조사하였다. 흡착평형은 Langmuir 흡착등온식이 가장 잘 맞았으며, 등온흡착평형관계로부터 Langmuir 식과 Freundlich 식의 분리계수를 평가한 결과, 분리계수값이 각각 $R_L$ = 0.023, 1/n=0.198로 입상활성탄에 의한 new fuchsin 염료의 흡착조작이 유효한 처리방법이 될 수 있음을 알았다. Dubinin-Radushkevich 식으로 구한 흡착에너지값(E = 0.002 kJ/mol)과 Temkin 식으로부터 구한 흡착열상수값(B = 1.920 J/mol)으로부터 흡착공정이 물리흡착공정임을 알았다. 흡착공정에 대한 동력학적 해석을 통해 흡착반응은 유사이차반응속도식이 유사일차반응속도식과 비교하여 일치도가 높은 것으로 나타났으며, 입자 내 확산이 흡착공정의 지배단계이었다. 열역학적 해석을 통해 평가된 엔탈피 변화값(92.49 kJ/mol)과 활성화에너지값(11.79 kJ/mol)으로부터 흡착공정이 흡열반응으로 진행되었다. 또한, 엔트로피 변화값이 313.7 J/mol K로 흡착공정의 무질서도가 증가하였다. 온도가 올라갈수록 자유에너지값이 감소하는 것은 활성탄에 대한 new fuchsin 염료의 흡착반응은 온도가 올라갈수록 자발성이 높아지는 것으로 판단되었다.

A comparative study on defluoridation capabilities of biosorbents: Isotherm, kinetics, thermodynamics, cost estimation and regeneration study

  • Yihunu, Endashaw Workie;Yu, Haiyan;Junhe, Wen;Kai, Zhang;Teffera, Zebene Lakew;Weldegebrial, Brhane;Limin, Ma
    • Environmental Engineering Research
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    • 제25권3호
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    • pp.384-392
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    • 2020
  • The presence of high fluoride concentration (> 1.5 mg/L) in water causes serious health problems such as fluorosis, infertility, brain damage, etc., which are endemic to many places in the world. This study has investigated the fluoride removal capacity of the novel activated biochar (BTS) and hydrochar (HTS) using Teff (Eragrostis tef) straw as a precursor. Activated biochar with mesoporous structures and large specific surface area of 627.7 ㎡/g were prepared via pyrolysis process. Low-cost carbonaceous hydrochar were also synthesized by an acid assisted hydrothermal carbonization process. Results obtained from both adsorbents show that the best local maximum fluoride removal was achieved at pH 2, contact time 120 min and agitation speed 200 rpm. The thermodynamic studies proved that the adsorption process was spontaneous and exothermic in nature. Both adsorbents equilibrium data fitted to Langmuir isotherm. However, Freundlich isotherm fitted best for BTS. The maximum fluoride loading capacity of BTS and HTS was found to be 212 and 88.7 mg/g, respectively. The variation could primarily be attributed to a relatively larger Surface area for BTS. Hence, to treat fluoride contaminated water, BTS can be promising as an effective adsorbent.

무전해 Ni-P UBM과 95.5Sn-4.0Ag-0.5Cu 솔더와의 계면반응 및 신뢰성에 대한 연구 (A study on the interfacial reactions between electroless Ni-P UBM and 95.5Sn-4.0Ag-0.5Cu solder bump)

  • 전영두;백경욱
    • 한국마이크로전자및패키징학회:학술대회논문집
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    • 한국마이크로전자및패키징학회 2002년도 춘계 기술심포지움 논문집
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    • pp.85-91
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    • 2002
  • Even though electroless Hi and Sn-Ag-Cu solder are widely used materials in electronic packaging applications, interfacial reactions of the ternary Ni-Cu~Sn system have not been known well because of their complexity. Because the growth of intermetallics at the interface affects reliability of solder joint, the intermetallics in Ni-Cu-Sn system should be identified, and their growth should be investigated. Therefore, in present study, interfacial reactions between electroless Ni UB7f and 95.5Sn-4.0Ag-0.5Cu alloy were investigated focusing on morphology of the IMCs, thermodynamics, and growth kinetics. The IMCs that appear during a reflow and an aging are different each other. In early stage of a reflow, ternary IMC whose composition is Ni$_{22}$Cu$_{29}$Sn$_{49}$ forms firstly. Due to the lack of Cu diffusion, Ni$_{34}$Cu$_{6}$Sn$_{60}$ phase begins growing in a further reflow. Finally, the Ni$_{22}$Cu$_{29}$Sn$_{49}$ IMC grows abnormally and spalls into the molten solder. The transition of the IMCs from Ni$_{22}$Cu$_{29}$Sn$_{49}$ to Ni$_{34}$Cu$_{6}$Sn$_{60}$ was observed at a specific temperature. From the measurement of activation energy of each IMC, growth kinetics was discussed. In contrast to the reflow, three kinds of IMCs (Ni$_{22}$Cu$_{29}$Sn$_{49}$, Ni$_{20}$Cu$_{28}$Au$_{5}$, and Ni$_{34}$Cu$_{6}$Sn$_{60}$) were observed in order during an aging. All of the IMCs were well attached on UBM. Au in the quaternary IMC, which originates from immersion Au plating, prevents abnormal growth and separation of the IMC. Growth of each IMC is very dependent to the aging temperature because of its high activation energy. Besides the IMCs at the interface, plate-like Ag3Sn IMC grows as solder bump size inside solder bump. The abnormally grown Ni$_{22}$Cu$_{29}$Sn$_{49}$ and Ag$_3$Sn IMCs can be origins of brittle failure.failure.

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고온수전해용 Ni/YSZ와 Cu/YSZ 환원극의 미세구조 및 전기전도도 비교 (Comparison of Microstructure and Electrical Conductivity of Ni/YSZ and Cu/YSZ Cathode for High Temperature Electrolysis)

  • 김종민;신석재;우상국;강계명;홍현선
    • 한국재료학회지
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    • 제18권7호
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    • pp.384-388
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    • 2008
  • Hydrogen production via high high-temperature steam electrolysis consumes less electrical energy than compared to conventional low low-temperature water electrolysis, mainly due to the improved thermodynamics and kinetics at elevated temperaturetemperatures. The elementalElemental powders of Cu, Ni, and YSZ are were used to synthesize high high-temperature electrolysis cathodecathodes, of Ni/YSZ and Cu/YSZ composites, by mechanical alloying. The metallic particles of the composites were uniformly covered with finer YSZ particles. Sub-micron sized pores are were homogeneously dispersed in the Ni/YSZ and Cu/YSZ composites. In this study, The cathode materials were synthesized and their Characterizations properties were evaluated in this study: It was found that the better electric conductivity of the Cu/YSZ composite was measured improved compared tothan that of the Ni/YSZ composite. Slight A slight increase in the resistance can be produced for in a Cu/YSZ cathode by oxidation, but it this is compensated offset for by a favorable thermal expansion coefficient. Therefore, Cu/YSZ cermet can be adequately used as a suitable cathode material of in high high-temperature electrolysis.

압력변화에 따른 퀴놀린 유도체와 p-치환 염화벤조일류의 속도론적 연구 (Kinetics on the Reaction of Substituted Quinolines and p-Substituted Benzoylchlorides under Various Pressures)

  • 임종완;김세경
    • 대한화학회지
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    • 제47권3호
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    • pp.206-212
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    • 2003
  • 온도(10, 15, 20, $25^{\circ}C$)와 압력(1, 200, 500, 1000 bar) 변화에 따라 p-치환염화벤조일류$(p-CH_3,\;p-H,\;p-NO_2)$와 퀴놀린 유도체(quinoline, 6-chloroquinoline)의 반응을 아세토니트릴 용매내에서 전기전도도법에 의하여 속도상수$(k_2)$를 구하였다. 이로부터 여러 활성화파라미터-활성화에너지$(Ea,\;{\Delta}V^{\neq},\;{\Delta}H^{\neq},\;{\Delta}S^{\neq}, \;{\Delta}G^{\neq})$를 구하였으며, 또한 Hammett반응상수 ${\rho}_X$와 기질의 치환기 효과에따른 ${\rho}_Y$를 구하였다. 속도상수는 온도와 압력 증가에 따라 증가하였으며, 친핵체인 quinoline과 기질에 전자 받게 치환기$(p-NO_2)$가 치환된 경우 더욱 증가 하였다. 이때 활성화부($({\Delta}V^{\neq})$, 활성화엔트로피$({\Delta}S^{\neq})$는 모두 음의 값으로 나타났으며, 모든 압력 조건에 따라서 친핵체의 치환기 효과 ${\rho}_X$는 음의 값을 ${\rho}_Y$는 양의 값을 나타내었다. 이러한 속도론적인 연구 결과 전반적인 반응은 $S_N2$ 반응메카니즘을 따르며, 압력이 증가함에 따라 결합형성이 진전되어지는 반응 메카니즘으로 진행됨을 알 수 있었다.

다이옥신의 환원적 탈염화 분해 경로와 독성 변화예측을 위한 LFER 모델 (Prediction of Pathway and Toxicity on Dechlorination of PCDDs by Linear Free Energy Relationship)

  • 김지훈;장윤석
    • 대한환경공학회지
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    • 제31권2호
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    • pp.125-131
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    • 2009
  • 영가철과 혐기성 미생물을 이용한 환원적 탈염화반응을 통한 다이옥신 처리 능력을 평가하기 위해, 자유에너지 선형관계(linear free energy relationship)를 이용하여 다이옥신의 탈염화에 의한 농도 및 독성변화 예측 모델을 최초로 정립하였다. 수용액상에 존재하는 다이옥신류의 깁스자유에너지는 기존 문헌의 열역학적 계산결과를 범밀도함수이론(density functional theory)을 이용한 계산 수준으로 보정하였으며, 보정된 깁스자유에너지와 실험을 통해 얻은 탈염화 반응속도 상수와의 선형관계를 통해 다이옥신의 탈염화 반응 256개에 대한 반응속도상수를 예측하였다. 본 모델을 통해 탈염화에 의해 변화하는 다이옥신 류 76종에 대한 시간 별 농도를 계산할 수 있다. 8염화다이옥신(Octachlorinated dibenzo-p-dioxin, OCDD)이 완전히탈염화되어 dibenzo-p-dioxin (DD)로 탈염화되기까지는 100년 이상의 반응시간이 필요하였으며, 독성등가값(toxic equivalent quantity, TEQ)의 경우 탈염화가 진행되면서 초기농도의 10배 이상까지 증가하는 것으로 밝혀졌다. 이를 통해, 다이옥신의 처리를 위해서는 좀 더 빠른 탈염화 반응속도를 갖는 다른 전자공여 시스템을 사용하거나, 환원적 탈염화-라디칼 산화와 같은 복합 연계처리가 필요함을 알 수 있다. 본 논문을 통해 제시된 예측 기법은 다이옥신뿐 아니라 다른 할로겐화 화합물의 탈염화 예측과 여러 전자공여 시스템에 대한 평가에 적용이 가능하다.