• 제목/요약/키워드: non-aqueous solvents

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디스크소스로부터 NAPL의 확산손실에 관한 수학적 모델 (Mathematical Models on Diffusive Loss of Non-Aqueous Phase Organic Solvents from a Disk Source)

  • Yoon, In-Taek;S.E., Dickson
    • 한국지하수토양환경학회지:지하수토양환경
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    • 제13권6호
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    • pp.40-49
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    • 2008
  • 평평한 fractures에서 공극을 가진 모암으로의 NAPL 확산을 수치적인 방법으로 해석하였다. 2D와 3D에 대한 일회성 디스크 소스와 3D 연속 디스크소스에 대한 모델은 Caralaw and Jaeger(1959)의 이론을 바탕으로 개발하였다. 3D 연속 디스크소스에 대해 공극모암으로 확산되는 NAPL의 총량을 계산할 수 없기 때문에 확산이 반구형으로 이루어진다고 가정하여 등농도선의 합을 이용하여 공극모암으로 확산되는 NAPL의 총량을 계산하였다. 수치적 계산에 따르면 2D 대비 3D의 경우에 NAPL 손실 시간이 현저히 빠른 것으로 나타났으며, 디스크 소스의 중심점에서 normalized된 농도는 일회성 디스크 소스는 시간에 따라 감소하고, 연속 디스크 소스는 증가하는 것으로 나타났으며, 시간과 공간에 따라 확산율은 감소하는 것으로 나타났다. 그리고 NAPL의 mass 손실은 1에 도달하지 못하였으며, 이는 연속 디스크 소스를 semi-infinite로 가정하고 적분했기 때문이다. 확산에 의해 사라지는 시간은 소스의 크기 및 모암 공극률 크기 증가에 비례해서 지수함수적으로 증가하고, 반면 NAPL의 용해성이 증가하면 감소하는 것으로 나타났다.

물아닌 용매에서의 용질의 행동의 관한 연구 (제1보). 요소, 1,3-디메틸요소 및 1,1,3,3,-테트라메틸 요소의 겉보기 몰랄부피 (The Behavior of Solutes in Non-Aqueous Solvents (I). The Apparent Molal Volumes of Urea, 1,3-Dimethylurea and 1,1,3,3-tetramethylurea)

  • 김시중;신영국;윤창주
    • 대한화학회지
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    • 제20권5호
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    • pp.374-379
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    • 1976
  • 요소, 1,3-디메틸요소(DMU)및 1,1,3,3-테트라메틸요소(TMU)의 $25^{\circ}C$에서의 겉보기 몰랄부피를 dimethylsulfoxide와 메탄올용액에서 밀도측정으로 얻었다. Dimethylsulfoxide에서 요소는 특히 묽은 용액에서 자체회합성을 보이고, DMU와 TMU는 용질-용매상호작용을 함을 알았다. 한편, 양성자성 용매인 메탄올에서 위의 3가지 용질분자는 모두 용질-용매상호작용을 우세하게 일으키고 있음을 알았다.

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세미카바존의 전기적 산화에 의한 2-Amino-5-Substituted-1,3,4-Oxadiazoles 합성 (Synthesis of Some 2-Amino-5-Substituted-1,3,4-Oxadiazoles Through the Electrooxidation of Semicarbazone)

  • Kumar, Sanjeev
    • 대한화학회지
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    • 제53권2호
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    • pp.159-165
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    • 2009
  • 2-Amino-5-Substituted-1,3,4-Oxadiazoles의 합성은 비분활된 셀에서 포텐셜 전기분해의 제어하에 백금전극의 세미카바존 전기적 산화로부터 수행되었다. 이것은 유기화학 합성분야에서 환경적으로 양호한 방법이다. 아세트산 및 아세트니트릴, 무수용매와 리튬 과염소산염 이 전기적 산화에서 전기분해을 위하여 사용 되어졌다. 생성물은 IR, $^1H$-NMR, $^{13}C$-NMR 그리고 원소분석을 통해 구조분석 하였다.

Preparation of Alginate/Poly(N-isopropylacrylamide) Hydrogels Using Gamma-ray Irradiation Grafting

  • Lee, Young-Moo;Lee, Sang-Bong;Seo, Sung-Mi;Lim, Youn-Mook;Cho, Seong-Kwan;Nho, Young-Chang
    • Macromolecular Research
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    • 제12권3호
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    • pp.269-275
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    • 2004
  • To graft N-isopropylacrylamide (NIPAAm) onto alginate, varying dosages of ${\gamma}$-rays were irradiated onto alginate films in deionized water and methanol media, which are non-solvents of alginate. We investigated the hydrogels graft ratio, mechanical strength, swelling kinetics and ratio, and behavior with respect to drug release. The graft yield of NIPAAm increased upon increasing the irradiation dose. The use of the aqueous solution increased the graft yield relative to that obtained in methanol. The mechanical strength of the grafted hydrogels increased after grafting with NIPAAm. In a study of the swelling kinetics, we found that all hydrogels reached an equilibrium swollen state within 3 h. The equilibrium swelling ratio of the hydrogels decreased upon increasing the irradiation dose. The swelling ratio of the hydrogels decreased dramatically between 30 and 35$^{\circ}C$ because phase separation of NIPAAm occurred at 32$^{\circ}C$. The swelling process, with respect to the temperature change, was repeatable. An NIPAAm-grafted alginate containing a drug sustained its release rate until 3 h after an initial high drug release caused by a burst effect.

Solvent Effects on the Solvolysis of 2-Aryl-1,1-dimethylethyl Bromides

  • 황영호;김성홍;지종기;여수동
    • Bulletin of the Korean Chemical Society
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    • 제19권3호
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    • pp.349-353
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    • 1998
  • Solvolysis rates of substituted 2-aryl-1,1-dimethylethyl bromides (1) were determined in a variety of solvents such as aqueous mixtures of ethanol, acetone, 2,2,2-trifluoroethanol, and also mixtures of ethanol and TFE at 25 ℃, 35 ℃, and 45 ℃. The solvent effects were analyzed in terms of Winstein-Grunwald equation. The solvent effects of 1-4-MeO failed to give a single linear correlation against either Y or YCl (YBr), but exhibited a wide split pattern which could not be related to the solvent nucleophilicity. On the other hand 1-4-CH3 and 1-H gave a fairly good linearity. In the case of 1-4-MeO, a fairly good linearity was observed against YΔ defined from the solvolysis of 4-methoxyneophyl tosylate. It is assumed that resonance interaction between reaction site and aryl-π-system operates to give charge delocalization regardless of the different solvolysis mechanisms. The Hammett-Brown treatment of the solvolytic rate constant of compounds 1 was obtained non-linear two separated lines of - 1.06 to - 1.46, suggesting of mechanistic changeover from kc-ks to kΔ on going from electron-withdrawing to electron-donating substituents as a basis of 4-CH3 group.

폐리튬이온전지 처리시 발생한 더스트 침출용액으로부터 Na2CO3와 (NH4)2CO3에 의한 리튬(I) 석출 비교 (Comparison of Li(I) Precipitation from the Leaching Solution of the Dust from Spent Lithium-ion Batteries Treatment between Sodium Carbonate and Ammonium Carbonate)

  • ;이만승
    • 자원리싸이클링
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    • 제31권5호
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    • pp.34-41
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    • 2022
  • 폐리튬이온전지를 고온에서 용융환원하면 금속혼합물, 슬라그와 리튬(I)을 함유한 분진이 발생한다. 분진의 침출 합성액을 이용하여 Li2CO3 석출실험을 수행했다. 석출제의 종류와 비수용액의 첨가가 석출에 미치는 영향을 조사했다. (NH4)2CO3에서 해리된 암모늄과 탄산이온의 수화반응으로 인해 Na2CO3가 석출제로서 효과가 우수했다. 또한 용액에 아세톤이나 에탄올을 첨가하면 리튬(I)의 석출률이 증가했다. 특히 (NH4)2CO3을 석출제로 첨가한 조건에서 용액의 pH가 12까지 증가함에 따라 리튬(I)의 석출률도 증가했다. 동일한 석출조건에서 Na2CO3에 의한 리튬(I)의 석출률이 (NH4)2CO3보다 더 높았다.

Syntheses and Characterizations of Serine and Threonine Capped Water-Dispersible ZnS:Mn Nanocrystals and Comparison Study of Toxicity Effects on the growth of E. coli by the Methionine, Serine, Threonine, and Valine Capped ZnS:Mn Nanocrystals

  • Lim, Eun-Ju;Park, Sang-Hyun;Byun, Jong-Hoe;Hwang, Cheong-Soo
    • Bulletin of the Korean Chemical Society
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    • 제33권5호
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    • pp.1741-1747
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    • 2012
  • Water-dispersible ZnS:Mn nanocrystals were synthesized by capping the surface of the nanocrystals with conventional aminoacids ligands: serine and threonine. The aminoacids capped ZnS:Mn nanocrystal powders were characterized by XRD, HR-TEM, EDXS, ICP-AES and FT-IR spectroscopy. The optical properties were also measured by UV/Vis and solution photoluminescence (PL) spectroscopies in aqueous solvents. The solution PL spectra showed broad emission peaks around 600 nm with PL efficiencies of 9.7% (ZnS:Mn-Ser) and 15.4% (ZnS:Mn-Thr) respectively. The measured particle sizes for the aminoacid capped ZnS:Mn nanocrystals by HR-TEM images were about 3.0-4.0 nm, which were also supported by Debye-Scherrer calculations. In addition, cytotoxic effects of four aminoacids capped ZnS:Mn nanocrsystals over the growth of wild type E. coli were investigated. Although toxicity in the form of growth inhibition was observed with all the aminoacids capped ZnS:Mn nanocrystals at higher dose (1 mg/mL), ZnS:Mn-Met and ZnS:Mn-Thr appeared non-toxic at doses less than 100 ${\mu}g$/mL. Low biological toxicities were seen at doses less than 10 ${\mu}g$/ mL for all nanocrystals.

Inhibitory Effect of Hizikia fusiformis Solvent-Partitioned Fractions on Invasion and MMP Activity of HT1080 Human Fibrosarcoma Cells

  • Lee, Seul-Gi;Karadeniz, Fatih;Oh, Jung Hwan;Yu, Ga Hyun;Kong, Chang-Suk
    • Preventive Nutrition and Food Science
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    • 제22권3호
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    • pp.184-190
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    • 2017
  • Matrix metalloproteinases (MMPs) are endopeptidases that take significant roles in extracellular matrix degradation and therefore linked to several complications such as metastasis of cancer progression, oxidative stress, and hepatic fibrosis. Hizikia fusiformis, a brown algae, was reported to possess bioactivities, including but not limited to, antiviral, antimicrobial, and anti-inflammatory partly due to bioactive polysaccharide contents. In this study, the potential of H. fusiformis against cancer cell invasion was evaluated through the MMP inhibitory effect in HT1080 fibrosarcoma cells in vitro. H. fusiformis crude extract was fractionated with organic solvents, $H_2O$, n-BuOH, 85% aqueous MeOH, and n-hexane (n-Hex). The non-toxicity of the fractions was confirmed by MTT assay. All fractions inhibited the enzymatic activities of MMP-2 and MMP-9 according to the gelatin zymography assay. Cell migration was also significantly inhibited by the n-Hex fraction. In addition, both gene and protein expressions of MMP-2 and -9, and tissue inhibitor of MMPs (TIMPs) were evaluated by reverse transcription-polymerase chain reaction and Western blotting, respectively. The fractions suppressed the mRNA and protein levels of MMP-2, MMP-9 while elevating the TIMP-1 and TIMP-2, with the $H_2O$ fraction being the least effective while n-Hex fraction the most. Collectively, the n-Hex fraction from brown algae H. fusiformis could be a potential inhibitor of MMPs, suggesting the presence of various derivatives of polysaccharides in high amounts.

Inhibition of MMP-2 and MMP-9 activities by solvent-partitioned Sargassum horneri extracts

  • Karadeniz, Fatih;Lee, Seul-Gi;Oh, Jung Hwan;Kim, Jung-Ae;Kong, Chang-Suk
    • Fisheries and Aquatic Sciences
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    • 제21권6호
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    • pp.16.1-16.7
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    • 2018
  • Background: Matrix metalloproteinases (MMPs) are linked with several complications such as metastasis of cancer progression, oxidative stress, and hepatic fibrosis. Brown seaweeds are being extensively studied for their bioactive molecule content against cancer progression. In this context, Sargassum horneri was reported to possess various bioactivities including antiviral, antimicrobial, and anti-inflammatory partly due to its phenolic compound content. Methods: In this study, potential of S. horneri was evaluated through anti-MMP effect in HT1080 fibrosarcoma cells. S. horneri crude extract was fractionated with organic solvents, namely, water ($H_2O$), n-buthanol (n-BuOH), 85% aqueous methanol (85% aq. MeOH), and n-hexane. The non-toxicity of fraction samples (Sargassum horneri solvent-partitioned extracts (SHEs)) was confirmed by cell-viability assay. SHEs were tested for their ability to inhibit MMP enzymatic activity through gelatin digestion evaluation and cell migration assay. Expressions of MMP-2 and MMP-9 and tissue inhibitors of MMP (TIMPs) were evaluated by reverse transcription and Western blotting. Results: All fractions inhibited the enzymatic activities of MMP-2 and MMP-9 according to gelatin zymography. Except $H_2O$ fraction, fractions hindered the cell migration significantly. All tested fractions suppressed both mRNA and protein levels of MMP-2, MMP-9, TIMP-1, and TIMP-2. Conclusion: Overall, current results suggested that S. horneri has potential to be a good source for anti-MMP agents, and further investigations are underway for better understanding of the action mechanism and isolation and elucidation of the bioactive molecules.

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.