• Title/Summary/Keyword: Chemical reaction optimization

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A Study of the Optimization of the MOF-5 Synthesis Process using Design of Experiments (실험계획법을 이용한 MOF-5 합성공정 최적화 연구)

  • Lee, Min Hyung;Lee, Sangmin;Yoo, Kye Sang
    • Applied Chemistry for Engineering
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    • v.33 no.4
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    • pp.402-407
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    • 2022
  • Statistical design of experiments was used to optimize the MOF-5 synthesis process. A mixture design was employed to optimize precursor concentration. The optimal composition of three chemical materials, terephthalic acid, zinc acetate dihydrate, and N,N-dimethylformamide for MOF-5 synthesis was determined by extreme vertices design methods as follows; 1 mol : 2.7 mol : 40 mol. A multilevel factorial design was selected to screen the significance of synthesis reaction conditions such as temperature, time, and stirring speed. Statistical analysis results suggested excluding stirring speed from further investigation. Using a central composition design, the synthesis time and temperature were optimized. The quadratic model equation was derived from 13 synthesis experiments. The model predicted that MOF-5 synthesized at 119 ℃ for 10.4 h had the highest crystallinity.

Synthesis and Flame - Retardant Optimization of Polyurethane Coatings Containing Trichloro Aromatic Modified Polyesters (트리클로로 방향족 변성폴리에스테르를 함유한 폴리우레탄 난연도료의 합성과 난연최적화)

  • Hwang, Kyu-Hyun;Kim, Dae-Won;Hahm, Hyun-Sik;Park, Hong-Soo
    • Journal of the Korean Applied Science and Technology
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    • v.17 no.4
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    • pp.240-247
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    • 2000
  • Two-component polyurethane flame-retardant coatings were prepared by blending trichloro aromatic modified polyesters(TCMPs) and polyisocyanate. TCMPs were synthesized by polycondensation of trichlorobenzoic acid(TCBA), a flame-retardant component, with adipic acid, 1,4-butanediol, and trimethylolpropane. The content of TCBA was varied in 10, 20, and 30 wt% for the reaction. These new flame-retardant coatings showed various properties comparable to other non-flame-retardant coatings. Moreover, we carried out the combustion test and the flammability test for our flame-retardant coatings. The results of vertical burning test for the coatings containing more than 20 wt% of TCBA were determined as 'no burn'. The results of flammability test for the coatings with 20 wt% and 30 wt% of TCBA contents indicated the limiting oxygen index(LOI) values of 25% and 28% respectively, which implied relatively good flame retardancy.

The Effect of Distance between Two Transducers on Sonochemical Reactions in Dual Irradiation Systems (이중 초음파 조사 시스템에서 진동부 사이의 거리가 초음파 화학 반응에 미치는 영향)

  • Kim, Eunkyung;Son, Younggyu
    • Journal of Soil and Groundwater Environment
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    • v.18 no.5
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    • pp.39-45
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    • 2013
  • Many researchers have studied the effectiveness of ultrasound in chemical and environmental engineering fields including material synthesis, pollutant removal, cleaning, extraction, and disinfection. Acoustic cavitation induced by ultrasound irradiation in aqueous phase can cause various sonophysical and sonochemical reactions without any chemicals. However most of the previous studies focused only on the relationships between ultrasonic conditions and the results of sonochemical reactions in lab-scale sonoreactors. As a results of this, only a few studies have been devoted to design and optimization of industrial scale sonoreactors. In this study, the effect of the distance between two opposite transducer modules on sonochemical reactions was investigated in single and dual irradiation systems (334 kHz) for four distances including 50, 100, 150, and 200 mm using KI dosimetry. It was found that the dual irradiation systems provided higher performance in terms of the zeroth reaction coefficient and the cavitation yield compared to the single irradiation systems. The sonochemiluminescence (SCL) images for the visualization of the cavitation field showed that cavitation active zone was larger and sonochemical reaction intensity was much higher in the dual irradiation system than in the single irradiation system.

Design and Optimization of Pilot-Scale Bunsen Process in Sulfur-Iodine (SI) Cycle for Hydrogen Production (수소 생산을 위한 Sulfur-Iodine Cycle 분젠반응의 Pilot-Scale 공정 모델 개발 및 공정 최적화)

  • Park, Junkyu;Nam, KiJeon;Heo, SungKu;Lee, Jonggyu;Lee, In-Beum;Yoo, ChangKyoo
    • Korean Chemical Engineering Research
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    • v.58 no.2
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    • pp.235-247
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    • 2020
  • Simulation study and validation on 50 L/hr pilot-scale Bunsen process was carried out in order to investigate thermodynamics parameters, suitable reactor type, separator configuration, and the optimal conditions of reactors and separation. Sulfur-Iodine is thermochemical process using iodine and sulfur compounds for producing hydrogen from decomposition of water as net reaction. Understanding in phase separation and reaction of Bunsen Process is crucial since Bunsen Process acts as an intermediate process among three reactions. Electrolyte Non-Random Two-Liquid model is implemented in simulation as thermodynamic model. The simulation results are validated with the thermodynamic parameters and the 50 L/hr pilot-scale experimental data. The SO2 conversions of PFR and CSTR were compared as varying the temperature and reactor volume in order to investigate suitable type of reactor. Impurities in H2SO4 phase and HIX phase were investigated for 3-phase separator (vapor-liquid-liquid) and two 2-phase separators (vapor-liquid & liquid-liquid) in order to select separation configuration with better performance. The process optimization on reactor and phase separator is carried out to find the operating conditions and feed conditions that can reach the maximum SO2 conversion and the minimum H2SO4 impurities in HIX phase. For reactor optimization, the maximum 98% SO2 conversion was obtained with fixed iodine and water inlet flow rate when the diameter and length of PFR reactor are 0.20 m and 7.6m. Inlet water and iodine flow rate is reduced by 17% and 22% to reach the maximum 10% SO2 conversion with fixed temperature and PFR size (diameter: 3/8", length:3 m). When temperature (121℃) and PFR size (diameter: 0.2, length:7.6 m) are applied to the feed composition optimization, inlet water and iodine flow rate is reduced by 17% and 22% to reach the maximum 10% SO2 conversion.

Numerical Analysis for Optimization of Film Uniformity and Deposition Grow Rate in the Vertical Cylindric Reactor (수직 원통형 CVD 반응로에서 박막의 균일성과 증착률 최적화에 대한 수치해석적 연구)

  • Kim, Jong-Hui;Kim, Hong-Je;O, Seong-Mo;Lee, Geon-Hwi;Lee, Bong-Gu
    • Journal of the Korean Society for Precision Engineering
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    • v.19 no.8
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    • pp.92-99
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    • 2002
  • This work investigated the optimal condition for an uniform deposition growth rate in the vertical cylindric CVD chamber. Heat transfer, surface chemical reaction and mass diffusion in the flow field of CVD chamber h,id been computed using Fluent v5.3 code. A SIMPLE based finite Volume Method (FVM) was adopted to solve the fully elliptic equations for momentum, temperature and concentration of a chemical species. The numerical analysis results show good agreements with the measurements obtained by N. Yoshikawa. The results obtained by the numerical analysis showed that the film growth rate in the center of a susceptor is increasing, as the inner flow approaches to the forced convection. To the contrast, as it approaches to the natural convection, that in the outside of a susceptor is increasing. As the Reynolds number increases, the uniformity may not hold due to the larger temperature gradient at a susceptor surface. Therefore, when the temperature gradient on the surface of a susceptor is zero, the film growth rate becomes uniform on most surface.

Optimization of TDA Recycling Process for TDI Residue using Near-critical Hydrolysis Process (근임계수 가수분해 공정을 이용한 TDI 공정 폐기물로부터 TDA 회수 공정 최적화)

  • Han, Joo Hee;Han, Kee Do;Jeong, Chang Mo;Do, Seung Hoe;Sin, Yeong Ho
    • Korean Chemical Engineering Research
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    • v.44 no.6
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    • pp.650-658
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    • 2006
  • The recycling of TDA from solid waste of TDI plant(TDI-R) by near-critical hydrolysis reaction had been studied by means of a statistical design of experiment. The main and interaction effects of process variables had been defined from the experiments in a batch reactor and the correlation equation with process variables for TDA yield had been obtained from the experiments in a continuous pilot plant. It was confirmed that the effects of reaction temperature, catalyst type and concentration, and the weight ratio of water to TDI-R(WR) on TDA yield were significant. TDA yield decreased with increases in reaction temperature and catalyst concentration, and increased with an increase in WR. As a catalyst, NaOH was more effective than $Na_2CO_3$ for TDA yield. The interaction effects between catalyst concentration and temperature, WR and temperature, catalyst type and reaction time on TDA yield had been defined as significant. Although the effect of catalyst concentration on TDA yield at $300^{\circ}C$ as subcritical water was insignificant, the TDA yield decreased with increasing catalyst concentration at $400^{\circ}C$ as supercritical water. On the other hand, the yield increased with an increase in WR at $300^{\circ}C$ but showed negligible effect with WR at $400^{\circ}C$. The optimization of process variables for TDA yield has been explored with a pilot plant for scale-up. The catalyst concentration and WR were selected as process variables with respect to economic feasibility and efficiency. The effects of process variables on TDA yield had been explored by means of central composite design. The TDA yield increased with an increase in catalyst concentration. It showed maximum value at below 2.5 of WR and then decreased with an increase in WR. However, the ratio at which the TDA yield showed a maximum value increased with increasing catalyst concentration. The correlation equation of a quadratic model with catalyst concentration and WR had been obtained by the regression analysis of experimental results in a pilot plant.

Modification of N-Terminal Amino Acids of Fungal Benzoate Hydroxylase (CYP53A15) for the Production of p-Hydroxybenzoate and Optimization of Bioproduction Conditions in Escherichia coli

  • Tamaki, Shun;Yagi, Mitsuhiko;Nishihata, Yuki;Yamaji, Hideki;Shigeri, Yasushi;Uno, Tomohide;Imaishi, Hiromasa
    • Journal of Microbiology and Biotechnology
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    • v.28 no.3
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    • pp.439-447
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    • 2018
  • The aromatic compound p-hydroxybenzoate (PHBA) is an important material with multiple applications, including as a building block of liquid crystal polymers in chemical industries. The cytochrome P450 (CYP) enzymes are beneficial monooxygenases for the synthesis of chemicals, and CYP53A15 from fungus Cochliobolus lunatus is capable of executing the hydroxylation from benzoate to PHBA. Here, we constructed a system for the bioconversion of benzoate to PHBA in Escherichia coli cells coexpressing CYP53A15 and human NADPH-P450 oxidoreductase (CPR) genes as a redox partner. For suitable coexpression of CYP53A15 and CPR, we originally constructed five plasmids in which we replaced the N-terminal transmembrane region of CYP53A15 with a portion of the N-terminus of various mammalian P450s. PHBA productivity was the greatest when CYP53A15 expression was induced at $20^{\circ}C$ in $2{\times}YT$ medium in host E. coli strain ${\Delta}gcvR$ transformed with an N-terminal transmembrane region of rabbit CYP2C3. By optimizing each reaction condition (reaction temperature, substrate concentration, reaction time, and E. coli cell concentration), we achieved 90% whole-cell conversion of benzoate. Our data demonstrate that the described novel E. coli bioconversion system is a more efficient tool for PHBA production from benzoate than the previously described yeast system.

A study on the analysis of bearing reaction forces and hull deflections affecting shaft alignment using strain gauges for a 50,000 DWT oil/chemical tanker (스트레인 게이지를 이용한 5만 DWT급 석유화학제품운반선의 베어링 반력 및 선체변형량 분석에 관한 연구)

  • Lee, Jae-Ung
    • Journal of Advanced Marine Engineering and Technology
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    • v.40 no.4
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    • pp.288-294
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    • 2016
  • In modern ships, the shafting system often becomes stiff owing to the high engine power, whereas the hull structure becomes more flexible owing to optimization using high-tensile-strength thick steel plates; therefore, more sophisticated shaft alignments are required. In this study, strain gauge-based measurement was conducted under five vessel operating conditions and bearing reaction forces and hull deflections affecting shaft alignment were analyzed for a 50,000 dead weight tonnage oil/chemical tanker that has gained repute as an eco-friendly vessel in recent years. Furthermore, the analytical results from each technique-theoretical calculation, jacking ups, and strain gauges-were cross-checked against each other in order to enhance the degree of accuracy and reliability of the calculation.

A Simulation Study on SCR(Steam Carbon Dioxide Reforming) Process Optimization for Fischer-Tropsch Synthesis (Fischer-Tropsch 합성용 SCR(Steam Carbon Dioxide Reforming) 공정 최적화 연구)

  • Kim, Yong Heon;Koo, Kee Young;Song, In Kyu
    • Korean Chemical Engineering Research
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    • v.47 no.6
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    • pp.700-704
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    • 2009
  • A simulation study on SCR(steam carbon dioxide reforming) in gas-to-liquid(natural gas to Fischer-Tropsch synthetic fuel) process was carried out in order to find optimum reaction conditions for SCR experiment. Optimum operating conditions for SCR process were determined by changing reaction variables such as temperature and $CH_4/steam/CO_2$ feed ratio. Simulation was carried out by Aspen Plus. During the simulation, overall process was assumed to proceed under steady-state conditions. It was also assumed that physical properties of reaction medium were governed by RKS(Redlich-Kwong-Soave) equation. Optimum simulation variables such as temperature and feed ratio were determined by considering $H_2/CO$ ratio for FTS(Fischer-Tropsch synthesis), $CH_4$ conversion, and $CO_2$ conversion. Simulation results showed that optimum reaction temperature and $CH_4/steam/CO_2$ feed ratio in SCR process were $850^{\circ}C$ and 1.0/1.6/0.7, respectively. Under optimum temperature of $850^{\circ}C$, $CH_4$ conversion and $CO_2$ conversion were found to be 99% and 49%, respectively.

Optimization of Ammonia Percolation Process for Ethanol Production from Miscanthus Sinensis (억새를 이용한 바이오 에탄올 생산을 위한 암모니아 침출 공정 최적화)

  • Kim, Kyoung-Seob;Kim, Jun Seok
    • Korean Chemical Engineering Research
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    • v.48 no.6
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    • pp.704-711
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    • 2010
  • Lignocellulose ($2^{nd}$ generation) is difficult to hydrolyze due to the presence of lignin and the technology developed for cellulose fermentation to ethanol is not yet economically viable. However, recent advances in the extremely new field of biotechnology for the ethanol production are making it possible to use of agriculture residuals and nonedible crops biomass, e.q., rice straw and miscanthus sinensis, because of their several superior aspects as agriculture residual and nonedible crops biomass; low lignin, high contents of carbohydrates. In this article, as the basic study of AP(Ammonia Percolation), the properties and the optium conditions of process were established, and then the overall efficiency of AP was investigated. The important independent variables for AP process were selected as ammonia concentration, reaction temperature, and reaction time. The percolation condition for maximizing the content of cellulose, the enzymatic digestibility, and the lignin removal was optimized using RSM(Response Surface Methodology). The determined optimum condition is ammonia concentration; 11.27%, reaction temperature; $157.75^{\circ}C$, and reaction time; 10.01 min. The satisfying results were obtained under this optimized condition, that is, the results are as follows: cellulose content(relative); 39.98%, lignin content(relative); 8.01%, and enzymatic digestibility; 85.89%.