• 제목/요약/키워드: 3D catalyst

검색결과 277건 처리시간 0.019초

가축 사체 매몰지 침출수 처리를 위한 Fenton 산화공정의 최적조건 (Optimal Condition of Operation Parameter for Livestock Carcass Leachate using Fenton Oxidation Process)

  • 안상우;정영철;유지영;민지은;이시진;박재우
    • 한국지하수토양환경학회지:지하수토양환경
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    • 제18권1호
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    • pp.26-35
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    • 2013
  • Outbreak of animal infectious diseases such as foot-and-mouth disease, avian influenza are becoming prevalent worldwide. For prevent the further infection, tremendous numbers of the infected or culled stocks are buried around farm. This burial method can generate a wide range of detrimental components such as leachate, nutrient, salt, and pathogenic bacteria, consequently. In this study, for the stabilization of livestock carcasses leachate, advanced oxidation processes utilizing the Fenton reaction was investigated in lab-scale experiments for the treatment for $COD_{Cr}$ of livestock carcass leachate. $COD_{Cr}$ reduction by the Fenton oxidation was investigated response surface methodology using the Box-Begnken methods were applied to the experimental results. A central composite design was used to investigate the effects of the independent variables of pH ($x_1$), dosage of $FeCl_2{\cdot}4H_2O$ ($x_2$) and dosage of $H_2O_2$ ($x_3$) on the dependent variables $COD_{Cr}$ concentration ($y_1$). A 1 M NaOH and $H_2SO_4$ was using for pH control, $FeCl_2{\cdot}4H_2O$ was used as iron catalyst and NaOH was used for Fenton reaction. The optimal conditions for Fenton oxidation process were determined: pH, dosage of $FeCl_2{\cdot}4H_2O$ and dosage of $H_2O_2$ were 3, 0.6 g (0.0151 M) and 7 mL(0.259 M), respectively. Statistical results showed the order of significance of the independent variables to be pH > initial concentration of ferrous ion > initial concentration of hydrogen peroxide.

4급 암모늄염 촉매에 의한 Glycidyl Methacrylate와 이산화탄소의 부가반응 (Addition Reaction of Glycidyl Methacrylate with Carbon Dioxide Using Quaternary Ammonium Salts as Catalys)

  • 양정규;문정열;정성미;박대원;이진국
    • 공업화학
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    • 제7권6호
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    • pp.1156-1163
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    • 1996
  • 본 연구는 이산화탄소와 glycidyl methacrylate(GMA)의 부가반응에 의한(2-oxo-1,3-dioxolane-4-yl)methacrylate(DOMA)의 합성에 4급 암모늄염 촉매의 특성을 고찰한 것이다. 4급 암모늄염 상이동 촉매의 알킬기의 크기가 크고 짝음이온의 친핵성이 강할수록 촉매활성이 높았다. 폴리에틸렌글리콜이나 NaI, 18-crown-6를 단독으로 사용한 경우에는 반응활성이 전혀 없었으나 NaI와 18-crown-6의 혼합물을 촉매로 사용한 결과 비교적 좋은 DOMA 수율을 얻었다. 또한 극성이 낮은용매를 사용한 경우에는 단량체 형태의 DOMA를 얻을 수 있었고, 극성이 높은 비양성자성 용매를 사용한 결과 DOMA의 고분자를 직접 합성할 수 있었다. 한편 고압 회분반응기에서 이산화탄소의 압력변화를 통한 속도론 적 고찰 결과 반응속도는 GMA와 이산화탄소의 농도에 대하여 각각 1차 반응이었고, 이때 반응속도 상수 k는 0.56L/mol hr이었으며 diglyme 용매에 대한 $80^{\circ}C$에서 $CO_2$의 Henry 상수 H'는 $6.5{\times}10^{-4}mol/L{\cdot}kPa$로 나타났다.

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Computational Optimization of Bioanalytical Parameters for the Evaluation of the Toxicity of the Phytomarker 1,4 Napthoquinone and its Metabolite 1,2,4-trihydroxynapththalene

  • Gopal, Velmani;AL Rashid, Mohammad Harun;Majumder, Sayani;Maiti, Partha Pratim;Mandal, Subhash C
    • 대한약침학회지
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    • 제18권2호
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    • pp.7-18
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    • 2015
  • Objectives: Lawsone (1,4 naphthoquinone) is a non redox cycling compound that can be catalyzed by DT diaphorase (DTD) into 1,2,4-trihydroxynaphthalene (THN), which can generate reactive oxygen species by auto oxidation. The purpose of this study was to evaluate the toxicity of the phytomarker 1,4 naphthoquinone and its metabolite THN by using the molecular docking program AutoDock 4. Methods: The 3D structure of ligands such as hydrogen peroxide ($H_2O_2$), nitric oxide synthase (NOS), catalase (CAT), glutathione (GSH), glutathione reductase (GR), glucose 6-phosphate dehydrogenase (G6PDH) and nicotinamide adenine dinucleotide phosphate hydrogen (NADPH) were drawn using hyperchem drawing tools and minimizing the energy of all pdb files with the help of hyperchem by $MM^+$ followed by a semi-empirical (PM3) method. The docking process was studied with ligand molecules to identify suitable dockings at protein binding sites through annealing and genetic simulation algorithms. The program auto dock tools (ADT) was released as an extension suite to the python molecular viewer used to prepare proteins and ligands. Grids centered on active sites were obtained with spacings of $54{\times}55{\times}56$, and a grid spacing of 0.503 was calculated. Comparisons of Global and Local Search Methods in Drug Docking were adopted to determine parameters; a maximum number of 250,000 energy evaluations, a maximum number of generations of 27,000, and mutation and crossover rates of 0.02 and 0.8 were used. The number of docking runs was set to 10. Results: Lawsone and THN can be considered to efficiently bind with NOS, CAT, GSH, GR, G6PDH and NADPH, which has been confirmed through hydrogen bond affinity with the respective amino acids. Conclusion: Naphthoquinone derivatives of lawsone, which can be metabolized into THN by a catalyst DTD, were examined. Lawsone and THN were found to be identically potent molecules for their affinities for selected proteins.

황산 촉매를 이용한 글루코오스로부터 5-HMF 및 레불린산 생산을 위한 동역학적 연구 (Kinetic Study of Glucose Conversion to 5-hydroxymethylfurfural and Levulinic Acid Catalyzed by Sulfuric Acid)

  • 한석준;이승민;김준석
    • Korean Chemical Engineering Research
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    • 제60권2호
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    • pp.193-201
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    • 2022
  • 바이오매스로부터 얻는 5-HMF(5-hydroxymethylfurfural)과 레불린산(LA; levulinic acid)는 그린 플랫폼 화학물질로, 폭넓은 응용분야를 가지며 바이오연료 및 바이오 화학물질로써 사용된다. 본 연구에서는, 글루코오스(D-glucose) 분해로부터 레불린산 형성의 kinetic를 다양한 온도 및 황산 농도를 통해 연구하였다. 실험은 황산 촉매(1-3 wt%)을 사용하였으며, 온도(140-200 ℃)는 넓은 범위에서 수행되었다. 글루코오스 용액은 10 ml 황산 용액에 글루코오스 1g을 용해시켜 만들었다. 반응 속도는 온도에 따라 증가하였고 활성화 에너지는 이전에 보고된 값과 유사한 경향을 보였다. 5-HMF의 최대 농도에 대한 반응 시간은 온도가 증가함에 따라 감소하였다. 또한, 산 농도가 증가함에 따라 5-HMF의 분해속도가 빨라졌다. 황산 촉매의 농도가 증가함에 따라 레불린산의 최대 농도에 도달하는 시간이 줄어들었다. 온도를 계속 높이는 것은 레불린산의 최대 농도를 감소시켰고 휴민의 양을 증가시켰다. 결과를 통해 얻은 kinetic parameters는 5-HMF과 레불린산의 mechanism를 이해하는데 도움을 준다. 또한, 이 연구의 결과는 바이오매스에서 고농도의 레불린산 및 5-HMF를 얻어내는데 유용한 정보를 제공한다.

아인산염 처리에 따른 철원양파의 페놀화합물 비교 연구 (Comparative Study on Phenolic Compounds of Cheorwon Onion by Phosphite Treatment)

  • 김연복;이희종;박철호;김동현;구현정;장광진
    • 현장농수산연구지
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    • 제20권2호
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    • pp.105-114
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    • 2018
  • 본 연구는 다른 지역에 비해 일교차가 큰 철원 지역에서 재배되고 있는 양파에 친환경제제로 사용되는 아인산염을 농도별로 처리하여 생육특성과 페놀화합물 함량의 변이를 알아보기 위해 수행되었다. 그 결과 아인산염 처리 후 양파의 구무게, 너비, 폭과 당 함량에는 큰 영향을 미치지 않았다. 반면 페놀화합물에는 영향을 미쳐 아인산 500ppm을 처리했을 때 벤조산, 카페산, 쿠마린산, 캠페롤, 쿼르세틴 함량이 무처리구보다 다소 높은 함량을 보였다. 따라서 아인산염은 생육에는 큰 영향을 주지는 않았지만 물질 변화에 영향을 미쳐 물질 촉매제 역할과 수용성 인산과 칼리를 공급하여 장마기에 질소와 균형을 이룰 수 있는 방법으로도 큰 역할을 할 수 있다고 사료된다.

퀴놀린 폐수의 습식산화와 호기성 생물학적 통합처리 (Integrated Wet Oxidation and Aerobic Biological Treatment of the Quinoline Wastewater)

  • 권순석;문해미;이용학;유용호;윤왕래;서일순
    • KSBB Journal
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    • 제23권3호
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    • pp.245-250
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    • 2008
  • 퀴놀린은 생물학적으로 거의 산화 분해되지 않았으나, 250$^{\circ}C$ 습식산화에서 니코틴산과 초산 등으로 산화 분해되었다. 퀴놀린 습식산화는 균일촉매 $CuSO_4$ 또는 쉽게 습식산화 분해되는 페놀에 의해 반응조건이 완화되었다. 퀴놀린 습식산화 반응의 주 생성물 중 하나인 니코틴산은 호기성 Bacillus 종균에 의해 산화 분해되었다. 촉매를 사용하지 않은 고온에서의 퀴놀린 습식산화 생성물의 생물학적 산화는 저온에서 진행된 균일 촉매 ($CuSO_4$) 습식산화와 퀴놀린-페놀 혼합용액 습식산화 반응 생성물의 생물학적 산화에 비하여 늦게 진행되었다. 반면에, 호기성 균주의 습식산화 생성물에의 적응은 생물학적 처리에서의 니코틴산 산화 분해 반응의 지체기를 크게 단축시켰다.

과망간산칼륨을 이용한 KP의 새로운 표백법(제3보) -모델화합물 실험에서 Oxalic acid 첨가의 평가- (New Bleaching Method for KP with Permanganate(III) -Evaluation of Role of Oxalic Acid as a Acid Catalyst and a Reductant on the Permanganate Oxidation with Phenolic Model Compounds-)

  • ;윤승락
    • 펄프종이기술
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    • 제33권1호
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    • pp.73-79
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    • 2001
  • Stricter environmental demands have increased the need to replace conventional C/D bleaching sequence by chlorine-free sequence. Permanganate is well known as a powerful oxidant and have been used industrially in variable fields. However, it has considered to be difficult to use permanganate as a bleaching reagent because of its strong oxidative effect decreasing the viscosity of pulps extremely. We have tried to use permanganate as a bleaching reagent for KP under the mild condition and it was clear that pernanganate oxidized lignin remained in pulps selectively and increased pulp brightness decreasing K number of pulps with small degradation of cellulose. We have employed the neutral condition in the permanganate bleaching process in this study. In this case, permanganate was converted to manganese dioxide after bleaching reaction. The manganese dioxide is remained in the treated pulp fibers because of its insolublity in water. So it was required to reduction the manganese oxide to manganese ion by using reductants with acid. In this paper, we proposed to use oxalic acid as a reducing reagent converting manganese oxide to manganese ion after bleaching reaction. Oxalic acid plays the role as a reductant and a acid, so post-treatment after bleaching became to be easy by using oxalic acid. On the study using lignin model compounds, it was clear that permaganate react with phenols firstly, after that oxalic acid reduce the manganese oxide to manganese ion in the mixture of permanganate, phenols and oxalic acid. Several lignin model compounds ($\textit{p}$-hydroxybenzaldehyde, vanillin, syringaldehyde, veratraldehyde) are selected to elucidate the effect of substituents on reaction rate and its mechanism with permanganate including oxalic acid in this study. Except for veratraldehyde, the rate of oxidative degradation of phenolic compounds by permanganate with oxalic acid are higher than neutral condition. Especially, the degradation rate of $\textit{p}$-hydroxybenzaldehyde are strongly dependent on pH of reaction mixture. On the other hand, the degradation rate of veratraldehyde are decreased with decreasing pH and main degradation product is veratric acid. This result indicate that pH of bleaching liquor should be kept over 2 to degrade of non-phenolic lignin in the pulps effectively in permanganate bleaching.

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