• 대한화학회지
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• 제57권6호
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• pp.769-777
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• 2013

The effect of operating conditions (temperature and the partial pressures of H2 and CO) on the reaction rate of Fischer-Tropsch synthesis (FTS) were investigated by carrying out experiments according to a Box-Behnken design (BBD), and were mathematically modeled by using response surface methodology (RSM). The catalyst used was a nano-structured cobalt/manganese oxide catalyst, which was prepared by thermal decomposition. The rate of synthesis was measured in a fixed-bed micro reactor with $H_2/CO$ molar feed ratio of 0.32-3.11 and reactor pressure in the range of 3-9.33 bar at space velocity of $3600h^{-1}$ and a temperature range of 463.15-503.15 K, under differential conditions (CO conversion below 2%). The results indicated that in the present experimental setup, the temperature and the partial pressure of CO were the most significant variables affecting reaction rate. Based on statistical analysis the quadratic model of reaction rate of FTS was highly significant as p-value 0.0002.

• 대한기계학회논문집B
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• 제32권8호
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• pp.636-644
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• 2008

The objective of this paper is to investigate characteristics of an autothermal reformer at various operating conditions. Numerical method has been used, and simulation model has been developed for the analysis. Pseudo-homogeneous model is incorporated because the reactor is filled with catalysts of a packed-bed type. Dominant chemical reactions are Full Combustion reaction, Steam Reforming(SR) reaction, Water-Gas Shift(WGS) reaction, and Direct Steam Reforming(DSR) reaction. Simulation results are compared with experimental results for code validation. Operating parameters of the autothermal reformer are inlet temperature, Oxygen to Carbon Ratio(OCR), Steam to Carbon Ratio(SCR), and Gas Hourly Space Velocity(GHSV). Temperature at the reactor center, fuel conversion, species at the reformer outlet, and reforming efficiency are shown as simulation results. SR reaction rate is improved by increased inlet temperature. Reforming efficiency and fuel conversion reached the maximum at 0.7 of OCR. SR reaction and WGS reaction are activated as SCR increases. When GHSV is increased, reforming efficiency increases but pressure drop from the increased GHSV may decrease the system efficiency.

• Bulletin of the Korean Chemical Society
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• 제18권11호
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• pp.1199-1203
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• 1997

The investigation of cure kinetics of biphenyl epoxy (4,4-diglycidyloxy-3,3,5,5-tetramethyl biphenyl)-xylok resin system with four different catalysts was performed by differential scanning calorimeter using an isothermal approach. All kinetic parameters of the curing reaction including the reaction order, activation energy and rate constant were calculated and reported. The results indicate that the curing reaction of the formulations using triphenylphosphine (TPP) and 1-benzyl-2-methylimidazole (1B2MI) as a catalyst proceeds through a first order kinetic mechanism, whereas that of the formulations using diazabicyloundecene (DBU) and tetraphenyl phosphonium tetraphenyl borate (TPP-TPB) proceeds by an autocatalytic kinetic mechanism. To describe the cure reaction in the latter stage, we have used the semiempirical relationship proposed by Chern and Poehlein. By combining an nth order kinetic model or an autocatalytic model with a diffusion factor, it is possible to predict the cure kinetics of each catalytic system over the whole range of conversion.

• Computers and Concrete
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• 제13권1호
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• pp.97-115
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• 2014

Silica fume is a by-product of induction arc furnaces and has long been used as a mineral admixture to produce high-strength, high-performance concrete. Due to the pozzolanic reaction between calcium hydroxide and silica fume, compared with that of Portland cement, the hydration of concrete containing silica fume is much more complex. In this paper, by considering the production of calcium hydroxide in cement hydration and its consumption in the pozzolanic reaction, a numerical model is proposed to simulate the hydration of concrete containing silica fume. The heat evolution rate of silica fume concrete is determined from the contribution of cement hydration and the pozzolanic reaction. Furthermore, the temperature distribution and temperature history in hardening blended concrete are evaluated based on the degree of hydration of the cement and the mineral admixtures. The proposed model is verified through experimental data on concrete with different water-to-cement ratios and mineral admixture substitution ratios.

• 한국연소학회:학술대회논문집
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• 한국연소학회 2012년도 제44회 KOSCO SYMPOSIUM 초록집
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• pp.37-40
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• 2012

In an entrained flow coal gasifier, predicting the reaction behavior of pulverized coal particles requires detailed information on devolatilization, char gasification, gaseous reactions, turbulence and heat transfer. Among the input parameters, the rate of devolatilization and the composition of volatile species are difficult to determine by experiments due to a high pressure (~40 bar) and temperature (${\sim}1500^{\circ}C$). This study investigates the effect of devolatilization models on the reaction and heat transfer characteristics of a 300 MWe Shell coal gasifier. A simplified devolatilization model and advanced model based on Flashchain were evaluated, which had different volatiles composition and devolatilization rates. It was found that the tested models produce similar flow and reaction trends, but the simplified model slightly over-predict the temperature and wall heat flux near the coal inlets.

• Macromolecular Research
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• 제14권3호
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• pp.338-342
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• 2006

The kinetic features of polymerization with an active site comprising cobalt dihalides ($CoX_2$, where X=Cl, Br, I) activated by methylaluminoxane (MAO) were investigated in 1,3-butadiene polymerization. The catalytic system exhibited the characteristic features of living polymerization. The initiation ($k_i$) and propagation ($k_p$) rate coefficients were estimated using the kinetic model for slow initiation previously reported by Shiono et al. The energy of activation fur the propagation reaction was calculated to be 27-30 $kJmol^{-1}$. The marked changes in reaction rate observed with different halides could be adequately described in terms of variations in the initiation process, with the same Arrhenius curve fitting propagation rate coeffcients estimated from all three halides, suggesting that the halide does not participate in the growing chain end.

• Korean Chemical Engineering Research
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• 제50권1호
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• pp.76-82
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• 2012

볏짚 톱밥과 같은 바이오매스는 석탄과 함께 사용할 수 있는 잠재력이 큰 에너지원으로 이들을 가스화공정에 적용하면 수송용 연료같은 bio-oil을 생산할 수 있다. 본 연구에서는 상압의 열천칭 반응기(thermobalance)에서 톱밥, 볏짚, 갈탄, 역청탄, 무연탄의 수증기 가스화 반응특성을 수행하였으며, 가스화 온도 $600{\sim}850^{\circ}C$, 수증기 분압 30~90 kPa의 범위에서 조업변수들이 가스화반응속도에 미치는 영향을 조사하였다. 세 가지의 기체-고체 화학반응모델이 가스화반응의 거동을 예측하는 능력을 비교하였으며, modified volumetric reaction model을 사용하여 공정설계에 필수적인 kinetic 정보를 도출하였다. 두 가지 바이오매스와 세 가지 석탄 촤의 가스화반응성을 비교하였다. Arrhenius plot으로부터 얻어진 바이오매스와 석탄의 활성화에너지는 모두 문헌상의 범위에 속하였다. 각 연료에 대하여 수증기분압에 대한 반응차수를 결정하였으며, 가스화공정 설계의 기초데이타로서 겉보기 반응속도식을 제시하였다.

• 생명과학회지
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• 제5권2호
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• pp.14-14
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• 1995

The effect of lipoxygenase (LOX) on the oxidation and co-oxidation of lipid fraction was studied in the model system of rainbow trout. For the reaction in model system 1 g of lipid fraction and 50mL of enzyme extract(LOX, 140 unit in 50mL phosphate buffer solution at pH 7,4)), which were obtained from rainbow trout, were homoginized in the presence of Tween 20 and kept at 23$\circ$C for 3 days. The activity of LOX was decreased to 43% of initial level during the reaction in the model system. The initial composition of rainbow trout lipid was showed to be consisted of trigliceride(TG;82%) and free fatty acid(FFA;0.1%), while this converted to 59% of TG and 20% of FIFA, respectively after reaction in model system. Change of fatty acid composition was also observed and the content of linoleic acid, one of the major fatte acids, was decreased to 13% from 54% in the content of total fatty acids after reaction. The carotenoids in rainbow trout were composed of 0.4% $\alpha$-carotene, 1.6% $\beta$ -carotene, 80% canthaxanthin, 7% lutein and 11% zeaxanthin, thus the canthaxanthin was the major component. This canthaxanthin was the most degraded carotenoid by lipoxygenase catalyzed co-oxidation during the reaction. On the other hand the tocopherol isomers found in the rainbow trout were $\alpha$ and $\beta$ -tocopherol, and $\alpha$-tocopherol had a higher degradation rate by the lipoxygenase catalyzed co-oxidation than of $\beta$-tocopherol in the reaction of model system.

• 청정기술
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• 제20권1호
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• pp.72-79
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• 2014

본 연구에서는 갈탄에 폐촉매(I, II, III) 및 $K_2CO_3$를 이용한 $CO_2$ 가스화의 반응속도상수 및 활성화 에너지를 조사하였다. 가스화 실험은 1 wt%, 5 wt%, 10 wt%의 촉매를 물리적으로 혼합한 갈탄을 열중량분석(Thermogravity analysis, TGA)을 이용하여 가스화 온도 $800^{\circ}C$, $850^{\circ}C$, $900^{\circ}C$ 범위에서 수행하였다. 실험 데이터를 세 가지 반응속도 모델(volumetric reaction model, VRM; shrinking core model, SCM; modified volumetric reaction model, MVRM)에 적용한 결과 MVRM이 가장 적합하였다. 가스화 속도는 온도가 높아짐에 따라 증가하는 것으로 관찰되었으며, 모든 실험 온도에서 폐촉매를 이용한 가스화 반응의 활성화 에너지는 촉매를 혼합하지 않은 갈탄 보다 낮게 나타났다. 특히, 폐촉매 III 10 wt%의 경우 활성화 에너지가 92.37 kJ/mol로 가장 낮게 얻어졌다.

• 공업화학
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• 제35권1호
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• pp.48-53
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• 2024

전기화학 기반의 SEI 성장 모델을 이용하여 리튬이온 배터리의 캘린더 노화 및 장기 수명을 예측하였다. 네 가지 유형의 장기 SEI 성장 모델(용매 확산 제한 모델, 전자 이동 제한 모델, 리튬-간극 확산 제한 모델, 반응 제한 모델)을 적용하여 수치해석이 이루어졌고, 캘린더 에이징 동안의 용량 감소와 리튬 재고 손실을 계산하였다. 수치해석 결과, 전자 이동 제한 모델과 리튬-간극 확산 제한 모델이 낮은 용량 감소를 보였으며, 용매 확산 제한 모델과 반응 제한 모델은 10년이내에 80%의 용량 감소를 보였다. 캘린더 노화 중 저온 보관 시 SEI의 성장을 저하시켜 용량 감소가 적었다. 사이클링 중 C-rate가 증가할수록 SEI 두께 증가로 수명 하락이 크게 나타났으나 그 차이는 크지 않았다.