• Title/Summary/Keyword: Chemical reaction optimization

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

  • Yoo, Bong-Ho;Zuo, Chengliang;Lee, Seung Bum
    • Applied Chemistry for Engineering
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    • v.31 no.4
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    • pp.404-410
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    • 2020
  • In this study, the stability criteria of cosmeceuticals emulsion containing Flos Sophorae Immaturus extracts was established using the Box-Behnken design model (BBD-RSM). As optimization conditions of the emulsification using the BBD-RSM, the amount of surfactant and additive, and emulsification time and speed were used as quantitative factors while mean droplet size (MDS), viscosity and emulsion stability index (ESI) were used as reaction values. According to the result of BBD-RSM, optimum conditions for the emulsification were as follows; the emulsification time and speed of 17.8 min and 5505 rpm, respectively and amounts of the emulsifier and additive of 2.28 and 1.05 wt.%, respectively. Under these conditions, the MDS, viscosity, and ESI after 7 days from the reaction were estimated as 1875.5 nm, 1789.7 cP, and 93.8%, respectively. The average error value from our actual experiments for verifying the conclusions was below 5%, which is mainly due to the fact that the BBD-RSM was applied to the optimized cosmeceuticals emulsification.

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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    • v.61 no.2
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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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    • v.18 no.12
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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.

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

  • Kwon, Tae-Young;Kim, In-Kwon;Cho, Byung-Gwun;Park, Jin-Goo
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2007.06a
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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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    • v.9 no.6
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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.

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

  • 이정민;강병희;목형수;최규하
    • The Transactions of the Korean Institute of Power Electronics
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    • v.6 no.5
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    • pp.377-385
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    • 2001
  • The mixed gas of Hydrogen and Oxygen is gained from water electrolysis reaction. It has constant volume ratio 2 : 1 Hydrogen and Oxygen, and it is used as a source of thermal energy by combustion reaction. This gas has better characteristics in the field of economy, efficiency of energy, and environmental intimacy than acetylene gas and LPG used for gas welding machine. So several studies of this gas are actively in progress nowadays. The object of this study is the optimization of power condition in the side of electricity for the Hydrogen-Oxygen gas generator, Firstly chemical analysis of electrolysis is conducted, and the relation of electrical energy and chemical energy is quantitatively investigated through Faraday's laws of electrolysis. After that, pulse power supply is designed for basic experiment which could be applied to the analysis of Hydrogen-Oxygen gas generator. In the basis of above steps, comparison and analysis of Hydrogen-Oxygen gas generator was conducted as variable frequency using pulse Power supply.

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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
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.02a
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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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    • v.29 no.7
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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.

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

  • Lee, HongJin;Kim, Woohyun;Lee, Kyubock;Yoon, Wang Lai
    • Korean Chemical Engineering Research
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    • v.56 no.6
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    • pp.914-920
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    • 2018
  • The intrinsic kinetic parameters of steam-methane reforming reactions over commercial nickel-based catalyst were determined. The reaction rate equations were derived from the reaction mechanism-based Langmuir-Hinshelwood chemisorption theory. As the experimental variables for the kinetic study, the reaction temperature ranged from 630 to $750^{\circ}C$ and the steam-to-carbon ratio also varied from 2.7 to 3.5. Based on the experimental data, the efficient optimization algorithm was used to determine the intrinsic kinetic parameters due to the high-dimensional objective function. It is confirmed that the parameter estimation results showed good agreement with the experimental values. Thus, this proposed mathematical reaction model can be used as the basic information to design a catalytic reactor and to optimize operating conditions.

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

  • Jang, Hyun Sik;Ma, Xixiang;Lee, Seung Bum
    • Applied Chemistry for Engineering
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    • v.32 no.3
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    • pp.320-325
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    • 2021
  • In this study, an optimization for the production of water emulsion was designed by adding an extract of wheat sprout, which is known to contain a large amount of antioxidants. The central composite design of reaction surface analysis method (CCD-RSM) was used for the optimization process. The amount of emulsifier, emulsification time, and added amount of wheat sprout extract were selected as independent variables based on our preliminary experiments. The mean droplet size (MDS), viscosity, and emulsion stability index (ESI) were set as the responses to evaluate the stability of the emulsion. For each independent variable, the P-value and coefficient of determination were evaluated to verify the reliability of the experiments. From the result of CCD-RSM, optimum conditions for the emulsification were determined as 23.6 min, 7.7 wt.%, and 3.9 wt.% for the emulsification time, amount of emulsifier, and amount of sprout, respectively. From the optimized condition obtained, MDS, viscosity, and ESI after 7 days from reaction were estimated as 252.3 nm, 616.7 cP, and 88.7%, respectively. The overall satisfaction was 0.9137, which supported the validity of the experiments, and the error rate was measured at 0.5% or less by advancing the experiments. Therefore, an optimized process for producing an emulsion by adding the malt extract was designed by the CCD-RSM.