• 제목/요약/키워드: Chemical reaction optimization

검색결과 141건 처리시간 0.024초

회화나무꽃 추출물이 함유된 Cosmeceuticals의 제조: Box-Behnken 설계모델을 이용한 최적화 (Preparation of Cosmeceuticals Containing Flos Sophorae Immaturus Extracts: Optimization Using Box-Behnken Design Model)

  • 유봉호;줘청량;이승범
    • 공업화학
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    • 제31권4호
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    • pp.404-410
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    • 2020
  • 본 연구에서는 Box-Behnken 설계모델(BBD-RSM)을 사용하여 회화나무꽃 추출물을 첨가한 cosmeceuticals 유화액의 안정성 조건을 최적화하였다. BBD-RSM의 독립변수로는 유화제의 첨가량, 회화나무꽃 추출물 첨가량, 유화시간, 유화속도 등을 설정하고, 반응치로는 O/W 유화액의 평균액적크기(MDS), 점도 및 유화안정도지수(ESI)를 설정하였다. BBD-RSM 최적화 분석결과 세 가지 반응치를 동시에 부합하는 최적조건은 유화시간(17.8 min), 유화속도(5505 rpm), 유화제의 첨가량(2.28 wt.%), 회화나무꽃 추출물 첨가량(1.05 wt.%)으로 산출되었으며, 이 조건에서의 BBD-RSM 예측결과는 MDS (1875.5 nm), 점도(1789.7 cP), ESI (93.8%)로 얻었다. 또한 이 조건에서 실제 실험을 통해 얻은 결과는 이론 결과에 비래 평균오차율은 5% 이하로 나타났다. 따라서 본 연구에서 BBD-RSM 최적화 분석을 적용할 경우 비교적 높은 유의수준의 만족하는 결과를 얻을 수 있었다.

Improved Kerosene Quality with the Use of a Gamma Alumina Nanoparticles Supported Zinc Oxide Catalyst in a Digital Batch Baffled Reactor: Experiments and Process Modelling

  • Jasim I. Humadi;Ghassan Hassan Abdul Razzaq;Ghassan Hassan Abdul Razzaq;Mustafa A. Ahmed;Liqaa I. Saeed
    • Korean Chemical Engineering Research
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    • 제61권2호
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    • pp.226-233
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    • 2023
  • To create an environmentally sustainable fuel with a low sulfur concentration, requires alternative sulfur removal methods. During the course of this study, a high surface gamma alumina-supported ZnO nanocatalyst with a ZnO/-Al2O3 ratio of 12% was developed and tested for its ability to improve the activity of the oxidative desulfurization (ODS) process for the desulfurization of kerosene fuel. Scanning electron microscopy (SEM) and Brunauer-Emmett-Teller (BET) were used to characterize the produced nanocatalyst. In a digital batch baffled reactor (20~80 min), the effectiveness of the synthesized nanocatalyst was tested at different initial concentrations of dibenzothiophene (DBT) of 300~600 ppm, oxidation temperatures (25~70 ℃), and oxidation periods (0.5, 1, and 2 hours). The baffles included in the digital baffled batch reactor resist the swirling of the reaction mixture, thus facilitating mixing. The ODS procedure yielded the maximum DBT conversion (95.5%) at 70 ℃ with an 80-minute reaction time and an initial DBT level of 600 ppm. The most precise values of kinetic variables were subsequently determined using a mathematical modelling procedure for the ODS procedure. The average absolute error of the simulation findings was less than 5%, demonstrating a good degree of agreement with the experimental results acquired from all runs. The optimization of the operating conditions revealed that 99.1% of the DBT can be removed in 140 minutes.

Optimization of the Process for Biodiesel Production Using a Mixture of Immobilized Rhizopus oryzae and Candida rugosa Lipases

  • Lee, Jong-Ho;Lee, Dong-Hwan;Lim, Jung-Soo;Um, Byung-Hwan;Park, Chul-Hwan;Kang, Seong-Woo;Kim, Seung-Wook
    • Journal of Microbiology and Biotechnology
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    • 제18권12호
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    • pp.1927-1931
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    • 2008
  • In this study, the enzymatic process for biodiesel production was optimized using a mixture of immobilized Rhizopus oryzae and Candida rugosa lipases. The optimal temperature and agitation speed for biodiesel production were $45^{\circ}C$ and 300 rpm, respectively. The optimal ratio of R. oryzae and C. rugosa lipases in the mixture was 3:1 (w:w). When 3 mmol of methanol was the initial reaction medium and 3 mmol of methanol was added every 1.5 h during biodiesel production, biodiesel conversion was over 98% at 4 h. In addition, when the immobilized lipase mixture was reused, biodiesel conversion exceeded 80% after 5 reuses.

Cu ECMP 공정에 사용디는 전해액의 최적화 (Optimization of Electrolytes on Cn ECMP Process)

  • 권태영;김인권;조병권;박진구
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2007년도 하계학술대회 논문집 Vol.8
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    • pp.78-78
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    • 2007
  • In semiconductor devices, Cu has been used for the formation of multilevel metal interconnects by the damascene technique. Also lower dielectric constant materials is needed for the below 65 nm technology node. However, the low-k materials has porous structure and they can be easily damaged by high down pressure during conventional CMP. Also, Cu surface are vulnerable to have surface scratches by abrasive particles in CMP slurry. In order to overcome these technical difficulties in CMP, electro-chemical mechanical planarization (ECMP) has been introduced. ECMP uses abrasive free electrolyte, soft pad and low down-force. Especially, electrolyte is an important process factor in ECMP. The purpose of this study was to characterize KOH and $KNO_3$ based electrolytes on electro-chemical mechanical. planarization. Also, the effect of additives such as an organic acid and oxidizer on ECMP behavior was investigated. The removal rate and static etch rate were measured to evaluate the effect of electro chemical reaction.

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Metabolic Flux Distribution for $\gamma$-Linolenic Acid Synthetic Pathways in Spirulina platensis

  • Meechai Asawin;Pongakarakun Siriluk;Deshnium Patcharaporn;Cheevadhanarak Supapon;Bhumiratana Sakarindr
    • Biotechnology and Bioprocess Engineering:BBE
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    • 제9권6호
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    • pp.506-513
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    • 2004
  • Spirulina produces $\gamma$-linolenic acid (GLA), an important pharmaceutical substance, in a relatively low level compared with fungi and plants, prompting more research to improve its GLA yield. In this study, metabolic flux analysis was applied to determine the cellular metabolic flux distributions in the GLA synthetic pathways of two Spiru/ina strains, wild type BP and a high­GLA producing mutant Z19/2. Simplified pathways involving the GLA synthesis of S. platensis formulated comprise of photosynthesis, gluconeogenesis, the pentose phosphate pathway, the anaplerotic pathway, the tricarboxylic cycle, the GLA synthesis pathway, and the biomass syn­thesis pathway. A stoichiometric model reflecting these pathways contains 17 intermediates and 22 reactions. Three fluxes - the bicarbonate (C-source) uptake rate, the specific growth rate, and the GLA synthesis rate - were measured and the remaining fluxes were calculated using lin­ear optimization. The calculation showed that the flux through the reaction converting acetyl­CoA into malonyl-CoA in the mutant strain was nearly three times higher than that in the wild­type strain. This finding implies that this reaction is rate controlling. This suggestion was sup­ported by experiments, in which the stimulating factors for this reaction $(NADPH\;and\;MgCl_{2})$ were added into the culture medium, resulting in an increased GLA-synthesis rate in the wild type strain.

펄스전원에 의한 수산화가스 발생기에 관한 연구 (A Study on Analysis of the Hydrogen-Oxygen Gas Generator Using Pulse Power Supply)

  • 이정민;강병희;목형수;최규하
    • 전력전자학회논문지
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    • 제6권5호
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    • pp.377-385
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    • 2001
  • 물을 전기분해하여 얻은 일정 부피비를 갖는 수소와 산소 혼합가스를 수산화가스로 명명하며, 이를 역반응시켜서 열 에너지원으로 사용하고 있다. 수산화가스는 경제성, 안전성 및 환경친화적인 고유한 특성을 지니고 있어서 현재 가스용접기에 적용하고 있으며 여러 가지 응용분야에 적용할 수 있도록 연구 중에 있다. 본 논문에서는 수산화가스의 특성에 관하여 고찰하고 발생기용 전원에 대하여 소개하고 이 중에서 아직까지 적용되지 않은 펄스전원을 적용하여 여러 가지 운전주파수에서 비교분석 하였다.

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Process Optimization of PECVD SiO2 Thin Film Using SiH4/O2 Gas Mixture

  • Ha, Tae-Min;Son, Seung-Nam;Lee, Jun-Yong;Hong, Sang-Jeen
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2012년도 제42회 동계 정기 학술대회 초록집
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    • pp.434-435
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    • 2012
  • Plasma enhanced chemical vapor deposition (PECVD) silicon dioxide thin films have many applications in semiconductor manufacturing such as inter-level dielectric and gate dielectric metal oxide semiconductor field effect transistors (MOSFETs). Fundamental chemical reaction for the formation of SiO2 includes SiH4 and O2, but mixture of SiH4 and N2O is preferable because of lower hydrogen concentration in the deposited film [1]. It is also known that binding energy of N-N is higher than that of N-O, so the particle generation by molecular reaction can be reduced by reducing reactive nitrogen during the deposition process. However, nitrous oxide (N2O) gives rise to nitric oxide (NO) on reaction with oxygen atoms, which in turn reacts with ozone. NO became a greenhouse gas which is naturally occurred regulating of stratospheric ozone. In fact, it takes global warming effect about 300 times higher than carbon dioxide (CO2). Industries regard that N2O is inevitable for their device fabrication; however, it is worthwhile to develop a marginable nitrous oxide free process for university lab classes considering educational and environmental purpose. In this paper, we developed environmental friendly and material cost efficient SiO2 deposition process by substituting N2O with O2 targeting university hands-on laboratory course. Experiment was performed by two level statistical design of experiment (DOE) with three process parameters including RF power, susceptor temperature, and oxygen gas flow. Responses of interests to optimize the process were deposition rate, film uniformity, surface roughness, and electrical dielectric property. We observed some power like particle formation on wafer in some experiment, and we postulate that the thermal and electrical energy to dissociate gas molecule was relatively lower than other runs. However, we were able to find a marginable process region with less than 3% uniformity requirement in our process optimization goal. Surface roughness measured by atomic force microscopy (AFM) presented some evidence of the agglomeration of silane related particles, and the result was still satisfactory for the purpose of this research. This newly developed SiO2 deposition process is currently under verification with repeated experimental run on 4 inches wafer, and it will be adopted to Semiconductor Material and Process course offered in the Department of Electronic Engineering at Myongji University from spring semester in 2012.

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Theoretical Studies on the Addition Reactions of Ketene with NH3 in the Gas Phase and in Non-Aqueous Solutions

  • Kim, Chang-Kon;Lee, Kyung A;Chen, Junxian;Lee, Hai-Whang;Lee, Bon-Su;Kim, Chan-Kyung
    • Bulletin of the Korean Chemical Society
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    • 제29권7호
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    • pp.1335-1343
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    • 2008
  • Theoretical studies on the un-catalyzed and catalyzed aminations of ketene with $NH_3$ and $(NH_3)_2$, respectively, were studied using MP2 and hybrid density functional theory of B3LYP at the 6-31+G(d,p) and 6- 311+G(3df,2p) basis sets in the gas phase and in benzene and acetonitrile solvents. In the gas phase reaction, the un-catalyzed mechanism was the same as those previously reported by others. The catalyzed mechanism, however, was more complicated than expected requiring three transition states for the complete description of the C=O addition pathways. In the un-catalyzed amination, rate determining step was the breakdown of enol amide but in the catalyzed reaction, it was changed to the formation of enol amide, which was contradictory to the previous findings. Starting from the gas-phase structures, all structures were re-optimized using the CPCM method in solvent medium. In a high dielectric medium, acetonitrile, a zwitterions formed from the reaction of $CH_2$=C=O with $(NH_3)_2$, I(d), exists as a genuine minimum but other zwitterions, I(m) in acetonitrile and I(d) in benzene become unstable when ZPE corrected energies are used. Structural and energetic changes induced by solvation were considered in detail. Lowering of the activation energy by introducing additional $NH_3$ molecule amounted to ca. −20 $\sim$ −25 kcal/mol, which made catalyzed reaction more facile than un-catalyzed one.

니켈기반 촉매를 사용한 메탄가스-수증기 개질반응의 모사 (Kinetic Model of Steam-Methane Reforming Reactions over Ni-Based Catalyst)

  • 이홍진;김우현;이규복;윤왕래
    • Korean Chemical Engineering Research
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    • 제56권6호
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    • pp.914-920
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    • 2018
  • 본 연구에서는 상용 니켈-알루미나 촉매를 이용한 메탄가스-수증기 개질반응에서의 고유반응속도 상수를 결정하였다. 반응메커니즘을 반영하기 위해 Langmuir-Hinshelwood chemisorption 이론에 기반한 반응속도식을 사용하였고 반응온도($630{\sim}750^{\circ}C$) 및 반응물의 분압(S/C ratio = 2.7~3.5)을 실험변수로 설정하였다. 실험을 통해 얻어진 데이터를 기반으로 효율적인 최적화 알고리즘을 이용하여 최적 고유반응속도상수들을 결정하였다. 최종적으로 제안된 이 수학적 반응 모델은 촉매반응기의 설계 및 운전조건 최적화에 활용 가능하다.

밀싹 추출물이 함유된 Cosmeceuticals의 제조: CCD-RSM을 이용한 유화안정성 최적화 (Preparation of Cosmeceuticals Containing Wheat Sprout Extracts: Optimization of Emulsion Stability Using CCD-RSM)

  • 장현식;마시샹;이승범
    • 공업화학
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    • 제32권3호
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    • pp.320-325
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    • 2021
  • 본 연구에서는 밀배아유에 항산화 물질이 다량 함유되어있는 밀싹 추출물을 첨가한 후 O/W 유화액을 제조하는 최적화 공정을 설계하였다. 최적화 공정 설계는 반응표면분석법의 중심합성계획모델을 사용하였다. 기초실험을 통하여 유화제 첨가량, 유화시간, 밀싹 추출물의 첨가량을 독립변수로 설정하였다. 그리고 반응치는 평균입자크기, 점도, 유화안정도지수를 설정하여 유화액의 안정성을 평가하였다. 각 독립변수에 대해 최적화하여 P-value와 결정계수를 평가하여 실험 신뢰도를 확인하였다. 모든 독립변수를 만족하는 최적화 조건은 유화제 첨가량 = 7.7 wt.%, 유화시간 = 23.6 min, 밀싹 추출물의 첨가량 = 3.9 wt.%에서 평균입자크기 = 252.3 nm, 유화액의 점도 = 616.7 cP, ESI = 88.7%로 나타났다. 종합만족도가 0.9137으로 실험의 타당성을 뒷받침하였고, 실제실험을 진행하여 오차율이 0.5 %이하로 측정되었다. 따라서 중심합성계획모델을 통해 밀싹 추출물을 첨가하여 유화액을 제조하는 최적화 과정을 설계하였다.