• Bulletin of the Korean Chemical Society
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• v.10 no.6
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• pp.488-491
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• 1989

Theoretical studies on the proton transfer reaction in a formamide dimer have been done by Ab initio SCF calculation. In this study, we have shown several effects on the potential energy profile of the proton transfer in a formamide dimer, such as the effect of a basis set, the effect of a geometry optimization, and the effect of a distance between proton-donor and proton-acceptor.

• Korean Chemical Engineering Research
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• v.56 no.2
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• pp.176-185
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• 2018

As global warming accelerates, greenhouse gas reduction becomes more important. Carbon dioxide dry reforming is a promising green-house gas reduction technology that can obtain CO and $H_2$ which are high value-added materials by utilizing $CO_2$ and $CH_4$ which are greenhouse gases. However, there is a significant coking problem during operation of the dry reforming reactor. Because the carbon dioxide dry reforming is a strong endothermic reaction, the temperature of the reactor drops near the reactor inlet and causes coke formation. To solve this problem, it is important to ensure that the reaction takes place in a temperature range where coke production is minimized. In this study, we proposed a design method that can maintain reaction temperature in the region where the coke is rarely generated by using the new catalyst configuration method. The design method also optimizes the reactor by solving the optimization problem which minimizes the reactor length for a given reaction conversion by using the fuel flow rate, catalyst density, and output temperature by section as optimization variables.

• Journal of Korean Society for Quality Management
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• v.30 no.1
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• pp.97-117
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• 2002

We apply Taguchi method to the process optimization problem of chemical reaction process, and some case studies are done to find out the way for cost reduction and quality improvement The parameter and tolerance designs of Taguchi mettled are done with operation data of a chemical process and we propose a procedure how to use and analyze the operation data to find the optimal process conditions and tolerance limits. In order to use the continuous values in experiment conditions, it is suggested how to determine the interval of each level by discrete values and to treat any missing values caused from discrete 4 levels.

• Bulletin of the Korean Chemical Society
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• v.34 no.6
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• pp.1848-1852
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• 2013

6,7-Dimethoxy-2-methyl-3-(4-nitrophenoxy)quinoline was synthesized by Friedl$\ddot{a}$nder's cyclization reaction. Different bases and solvents were tested in order to optimize the reaction conditions. The highest yields were obtained using piperidine in refluxing ethanol. Further reactions were carried out in order to prepare different diarylamide and diarylurea derivatives in moderate to high yields in order to examine their anticancer activities.

• Journal of Microbiology and Biotechnology
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• v.7 no.5
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• pp.345-351
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• 1997

An aqueous/organic two-phase reaction system was applied to the production of catechol using immobilized resting cells of Pseudomonas putida CY 400. Water/ethyl ether system was used because of high partition coefficient of catechol and thus to reduce the product inhibition and degradation. Among the tested immobilization carriers, polyacrylamide gel gave the highest catechol productivity. The immobilization seemed to protect the cells against solvent toxicity. From the simulation of reaction conditions based on two-phase models, it was found that there was an optimum acetate concentration at fixed benzoate and cell concentrations for the catechol productivity. A lower phase volume ratio (lower fraction of organic phase) gave a higher productivity. However, the substrate conversion was low at low phase volume ratio.

• Korean Chemical Engineering Research
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• v.52 no.6
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• pp.727-735
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• 2014

For improved sustainability of the biorefinery industry, biorefinery-byproduct glycerol is being investigated as an alternate source for hydrogen production. This research designs and optimizes a hydrogen-production process for small hydrogen stations using steam reforming of purified glycerol as the main reaction, replacing existing processes relying on steam methane reforming. Modeling, simulation and optimization using a commercial process simulator are performed for the proposed hydrogen production process from glycerol. The mixture of glycerol and steam are used for making syngas in the reforming process. Then hydrogen are produced from carbon monoxide and steam through the water-gas shift reaction. Finally, hydrogen is separated from carbon dioxide using PSA. This study shows higher yield than former U.S. DOE and Linde studies. Economic evaluations are performed for optimal planning of constructing domestic hydrogen energy infrastructure based on the proposed glycerol-based hydrogen station.

• Korean Chemical Engineering Research
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• v.46 no.4
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• pp.739-746
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• 2008

The aim of this study is finding the optimal design parameters and the optimal operation variables of a reactive distillation column. Different from steady state optimization, dynamic optimization makes it possible considering operation ability as well as design problems at process design step. For performing dynamic optimization, dynamic simulation should be done first. If dynamic simulation is already finished, dynamic optimization can be performed with less effort than that of dynamic simulation.Reactive distillation systems involving reaction and separation in a single unit have the potential to reduce capital and operating costs, particularly when reaction have conversion constraint or when azeotropes exist making conventional separation difficult and expensive. This study here present work on the continuous distillation process, the homogeneous catalyzed esterification of methanol and acetic acid, the synthesis of methyl acetate. Based on an equilibrium stage model of a reactive distillation column a dynamic optimization problem was formulated and solved. And the results were verified by performing dynamic simulation and showing the variation of conversion and purity as the variation of the operation variables. As the results of dynamic optimization, this study found optimal feed ratio, reflux ratio and reboiler duty of this system. And as this study applied it to dynamic simulations the dynamic characteristics of a reactive distillation column are showed under optimal operating condition.

• 한국생물공학회:학술대회논문집
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• 2005.10a
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• pp.511-516
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• 2005

Sorbitan methacrylate was synthesized from sorbitan dehydrated from D-sorbitol using an immobilized lipase. To optimize the enzymatic synthesis of sorbitan methacrylate, response surface methodology was applied to determine the effects of five-level-four-factors and their reciprocal interactions on sorbitan methacrylate biosynthesis. A total of 30 individual experiments were performed, which were designed to study reaction temperature, reaction time, enzyme amount and substrate molar ratio. A statistical model predicted that the highest conversion yield of sorbitan methacrylate was 100%, at the following optimized reaction conditions: a reaction temperature of 43.06 $^{\circ}C$, a reaction time of 164.25 mins., an enzyme amount of 7.47%, and a substrate molar ratio of 3.98:1. Using these optimal factor values under experimental conditions in four independent replicates, the average conversion yield reached 98.7%${\pm}$1.2% and was well within the value predicted by the model.

• 한국금형공학회:학술대회논문집
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• 2008.06a
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• pp.203-208
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• 2008

Recently, the modern society in development and industrial growth is investing a lot of time and much effort to improvement and environment of life quality. Thus, the casting tape which uses environmentally friendly and human body friendly water hardening process Polymer is rapidly substituted for the gypsum cast product which has been plentifully used in medical treatment. Until currently, prior researches have a tendency to focusing the analysis about chemical creation expense and reaction quality rather than the issue about optimization of the process for this polymerization. In the polymerization process which has been accomplished with actual same chemical creation expense, there has been a problem which is the possibility of getting a different result. This is because the optimization of respectively control factors is not accomplished which affect at polymerization process. Therefore, this research sees the chemical qualities of casting tape Polymer, consequently selects the polymerization process which is suitable. And, by using a experimental design, this research will evaluate the affects which the respective factors have on remaining NCO and viscosity. futhermore, this research will carry out the process optimization which can get the above results.

• Journal of Hydrogen and New Energy
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• v.24 no.2
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• pp.113-120
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• 2013

A steam reformer is a chemical reactor to produce high purity hydrogen from fossil fuel. In the steam reformer, since endothermic steam reforming is heated by exothermic combustion of fossil fuel, the heat transfer between two reaction zones dominates conversion of fossil fuel to hydrogen. Steam Reforming is complex chemical reaction, mass and heat transfer due to the exothermic methane/air combustion reaction and the endothermic steam reforming reaction. Typically, a steam reformer employs burner to supply appropriate heat for endothermic steam reforming reaction which reduces system efficiency. In this study, the heat of steam reforming reaction is provided by anode-off gas combustion of stationary fuel cell. This paper presents a optimization of heat transfer effect and average temperature of cross-section using two-dimensional models of a coaxial cylindrical reactor, and analysis three-dimensional models of a coaxial cylindrical steam reformer with chemical reaction. Numerical analysis needs to dominant chemical reaction that are assumed as a Steam Reforming (SR) reaction, a Water-Gas Shift (WGS) reaction, and a Direct Steam Reforming(DSR) reaction. The major parameters of analysis are temperature, fuel conversion and heat flux in the coaxial reactor.