• Title/Summary/Keyword: Chlorides

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Theoretical Studies on the Nucleophilic Substitution Reactions of 1-Phenylethyl Chlorides

  • 김왕기;류왕선;박형연;한인석;김창곤;이익준
    • Bulletin of the Korean Chemical Society
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    • v.18 no.8
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    • pp.868-873
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    • 1997
  • Nucleophilic substitution reactions of 1-phenylethyl chlorides (1-PEC; YC6H4CH(CH3)Cl) with phenoxides (XC6H4O-) and thiophenoxides (XC6H4S-) are investigated theoretically using the PM3 method. The Bronsted α and β values are greater for the phenoxides indicating a more advanced reaction in the transition state (TS) than for the thiophenoxides. This is supported by a greater magnitude of ρX (- 6.4 ∼ - 7.4) and ρXY (- 0.76) for the phenoxides than for the thiophenoxides (ρX = - 3.6 ∼ - 4.4 and ρXY = - 0.60). The percentage bond order changes, %Δn≠, suggest that the extents of bond making and breaking are similar for the phenoxides and hence the TS is symmetrical, but bond making is somewhat greater than bond cleavage for the thiophenoxides indicating an unsymmetrical TS. The reactions in the gas phase for both nucleophile series proceed by a SN2 mechanism with a tight TS and negative charge development on the reaction center carbon, Cα. The reactions in water investigated with model systems of benzyl and 1-phenylethyl chlorides using the Cramer-Truhlar solvation model (PM3-SM3) indicate that the reactions of 1-PEC are far more complex due to enhanced stabilization of the carbocation by the methyl substitution for a benzylic hydrogen.

Investigation of Water-Washing Process Parameters for Removal of Alkali Metals and Chlorides from Electric Arc Furnace Dust (EAFD) (전기 제강로 분진(EAFD)으로부터 알칼리 금속 및 염화물 제거를 위한 수 세척 공정 운영인자 조사)

  • Lee, Han Saem;Park, Da so mi;Ha, Jong Gil;Shin, Hyun Sang
    • Journal of Korean Society of Environmental Engineers
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    • v.39 no.11
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    • pp.626-633
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    • 2017
  • The present study investigated the effect of a water-washing process, which is part of the acid hydrometallurgical process for recovery of high purity of zinc, on the removal of alkali metals and chlorides (Na, K, Ca, Cl) from Electric arc furnace dust (EAFD). Two EAFD samples with different properties were characterized by particle size, XRD and element analysis, and their washing efficiencies (%) on alkali metals and chlorides were compared according to pH, washing time, liquid to solid (L/S) ratio and number of washings. The results show that the alkali metals and chlorides could be effectively removed by the washing (at L/S ration of 3 for more than 30 min., pH 10~11) while minimizing loss of zinc (<0.1%), in which the washing efficiency was Na-78%, K-76%, Cl >99%, respectively. Na and K could be removed up to 97% and 89% respectively by 3 times of repeated washings. With increased sample volume (10 times) of the mixed (1:1, w/w) sample with two types of EAFD, it was confirmed that the pH(10~11) can be used as the main process control parameter for the washing of the alkali metals regardless of EAFD properties.

Effect of Coating Materials for Steel on the Threshold of Corrosive Amount of Airborne Chlorides and the Evaluation of Their Corrosion Speeds (강재마감별 부식개시 임계 비래염분량 및 부식속도 평가)

  • Cho, Gyu-Hwan;Lim, Myung-Hyun;Park, Dong-Cheon
    • Journal of the Korea Institute of Building Construction
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    • v.15 no.2
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    • pp.143-151
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    • 2015
  • Many studies have investigated the airborne chlorides that can weaken the overall durability of the concrete structures due to the corrosion of steel materials, but most of the studies have aimed to examine weathering by exposing various construction materials to the actual oceanic environment. However, with the exposure test, it was difficult to find the threshold of precise corrosive amount of airborne chlorides due to diverse deteriorating environmental factors such as ultraviolet ray, acid rain, floating material from industrial pollution as well as airborne chlorides. Therefore, in this study, an airborne chloride simulator was set up, in oder to conduct a corrosion accelerating test for steels coated by five different finishing materials. As results, it was found that the corrosion began to be observed at $0.58{\sim}0.73mg/dm^2$ for no-coated steel, at $7.89{\sim}8.46mg/dm^2$for urethane-coated steel, at $57.95{\sim}69.48mg/dm^2$ for red lead-coated steel, and at $80.73{\sim}89.35mg/dm^2$ for stainless-coated steel, respectively. Hence, these specific data can be considered as the threshold ranges of corrosion for each coating material for steel.

Enhancement of Ammonia Adsorption Performance by Impregnation of Metal Chlorides on Surface-Modified Activated Carbon (표면 개질 활성탄 위 금속 염화물의 첨착에 의한 암모니아 흡착 성능의 향상)

  • Song, Kang;Lim, Jeong-Hyeon;Kim, Cheol-Gyu;Park, Cheon-Sang;Kim, Young-Ho
    • Applied Chemistry for Engineering
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    • v.32 no.6
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    • pp.671-678
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    • 2021
  • Effects of nitric acid treatment of an activated carbon and impregnation of metal chlorides on the activated carbon were investigated to improve ammonia adsorption performance. It was confirmed that functional groups such as hydroxyl and carboxyl groups were introduced onto a surface of the activated carbon with nitric acid treatment. Then, each metal chloride (NiCl2, MgCl2, CuCl2, MnCl2 or CoCl2) was impregnated onto the surface-modified activated carbon using an ultrasonic impregnation method. The physicochemical properties and ammonia adsorption performance of various impregnated activated carbons were observed. Metal chlorides were well dispersed by sonication and evenly distributed on the surface of the activated carbon. Despite the reduced specific surface area and pore volume, the surface-modified activated carbon impregnated with metal chlorides exhibited excellent ammonia adsorption performance. In particular, HNO3-NiCl2 AC prepared by impregnating NiCl2 showed the best ammonia adsorption capacity of 3.736 mmol·g-1, which was improved by about 57 times compared to that of an untreated activated carbon (0.066 mmol·g-1).

Application of Cl3CCONH2/PPh3 towards the Synthesis of Bioactive Amides

  • Chaysripongkul, Skydow;Pluempanupat, Wanchai;Jang, Doo-Ok;Chavasiri, Warinthorn
    • Bulletin of the Korean Chemical Society
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    • v.30 no.9
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    • pp.2066-2070
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    • 2009
  • $Cl_3CCONH_2$ coupled with $PPh_3$ was determined to be an effective reagent for the conversion of carboxylic acids to their corresponding acid chlorides. Subsequently, these acid chlorides were successfully trapped with amines in the presence of 4-picoline, yielding amides. This practical and efficient protocol can be utilized for the synthesis of biological amides in excellent yields.

The Effect of Pressure on the Rate of Solvolysis (Ⅲ) Kinetics on the Nucleophilic Substitution Reactions of Acyl- and Alkyl groups in Binary Solvents (가용매분해반응속도에 대한 압력의 영향(Ⅲ) 이성분용매내 Acyl류와 Alkyl류의 친핵성 치환반응의 속도론적 연구)

  • Kyong, Jin Burm;Park, Byoung Chun;Kwun, Oh Cheun
    • Journal of the Korean Chemical Society
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    • v.41 no.9
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    • pp.443-448
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    • 1997
  • Kinetics for the solvolyses of acyl chlorides and alkyl chlorides in hydroxylic solvent mixtures have been measured by conductometric method at various temperatures and pressures. The activation parameters (${\Delta}V^{\neq},\; {\Delta}H^{\neq},\; {\Delta}S^{\neq}$) were estimated from the rate constants. The reactivities of these reactions were also estimated from the correlation of the activation volumes with the activation entropies.

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