• 한국신재생에너지학회:학술대회논문집
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• 2010.11a
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• pp.143-143
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• 2010

GTL(Gas-to-Liquids)공정 중 합성가스 제조공정(Reforming Process)인 ATR(Auto-Thermal Reforming), SCR(Steam Carbon Reforming), POx(Partial Oxidation)의 시뮬레이션 연구를 수행하였다. Reforming 공정에서 생산된 합성가스는 GTL 합성유 제조공정인 FT(Fischer-Thropsch) 반응기로 주입되며, 합성유 생산에 최적의 효율을 보이는 H2/CO 비(합성가스에 포함된 반응물비)는 2.0으로 알려져 있다. FT공정은 합성가스를 원료로 고온 및 고압 반응을 거쳐 GTL 공정의 최종 생산품인 FT합성유를 제조하는 공정이다. 본 연구에서는 FT공정 효율 극대화를 위해 reforming 공정에서 생성되는 합성가스 내 H2/CO의 비를 2로 수렴토록 모사조건을 설정하였으며, 상기 조건을 만족하는 reforming 공정들의 운전 온도 및 feed 조성을 분석하고 비교하고자 한다. 현재 GTL 플랜트관련 산업계에 적용 혹은 주 연구대상인 reforming 공정으로는 ATR, SCR, POx 공정이 있다. ATR 공정은 $850{\sim}1100^{\circ}C$에서 메탄, 스팀 및 산소를 원료로 활용하여 H2 및 CO를 생산하는 공정으로 발열/흡열 반응이 상존하여 에너지 비용이 낮지만 공정구조 상 열회수설비 및 ASU(Air Separation Unit)이 필요하기에 CAPEX(초기설비 설치비용)가 높은 편이다. SCR공정은 CH4, Steam 및 CO2를 연료로 하기에 이산화탄소가 일정부분 포함된 가스전에도 적용이 가능하나 공정 운전 중 지속적으로 외부에서 열을 공급해야 하기에 에너지 투입비용이 높은편이며, 탄소침적의 문제가 있어 대용량 플랜트에는 적합하지 않다. POx공정은 약 $1,500^{\circ}C$의 고온에서 CH4가 O2에 의해 부분 산화되는 방식으로 촉매가 필요없어 설비비가 타 공정에 비해 저렴하나 생산가스의 H2/CO비가 다소 낮아 전체적인 GTL 공정효율이 저하되는 단점이 있다. 상기 세 공정은 GTL 산업계에서 실증 및 효율증대를 위해 주로 연구되는 공정이기에 본 연구의 분석대상으로 설정하였다. 본 연구에서는 상용공정모사기인 Aspen Plus를 활용하여 reforming 공정별로 FT합성공정의 최적 조건(H2/CO=2)을 만족하는 합성가스 생산조건 분석 및 비교를 수행할 예정이다. 운전조건인 공정 운전온도 및 feed 가스조성 등을 모사하기 위해 합성가스 reforming 공정을 모델링하고 공급유량 및 압력 등의 운전변수는 GTL국책과제 1단계 연구수행 결과를 토대로 선정하고자 한다. GTL공정의 경우, 설비의 운전조건이나 연료가스의 구성 및 유량에 따라 적합한 reforming 공정이 다르기에 본 시뮬레이션 결과를 향후 GTL 플랜트 공정모델 설계시 reforming 공정선정에 참고자료로 활용하고자 한다.

• 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.

• New & Renewable Energy
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• v.9 no.3
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• pp.20-28
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• 2013

The gasification process has developed to convert coal into the more useful energy and material since decades. Despite the numberous design of ones, entrained flow gasifier of the major companies has had an advantage on the market. Because it has a merit of full-scale and high performance plant. In this paper, the gasification technologies of GE energy, Phillips, Siemens and Shell have been reviewed to compare their characteristics and a high performance gasification process was suggested. And the simulation model of gasifiers using Aspen Plus offered the quantitative comparison data for difference designs. The simulation results revealed the poor performance of the slurry feed than dry design. The corresponding cold gas efficiency of 77% is much lower than the 80.3% for the dry feed cases. The exergy analysis of the difference syngas quenching system showed that chemical quenching is superior to another. The results of analysis recommend the two stage gasifier with dry multi-feeder as the energy effective design.

• Journal of the Korean Society of Combustion
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• v.13 no.2
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• pp.23-32
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• 2008

Gasification characteristics in the fluidized bed reactor are essential for the design of a gasification furnace to optimize the operation condition. Moisture content of the solid fuel is one of the important factors to influence directly the gasification characteristics. So it is necessary to investigate the effect of moisture content of solid fuel in partial oxidation condition. Gasification characteristics are investigated with results from thermogravimetric analyzer and lab-scale fluidized bed reactor for wood and RDF samples along with changing moisture contents. Additionally lab-scale fluidized bed reactor was run continuously and gas concentrations at the exit were measured. It is observed that the rate of reaction in partial oxidation condition is between the results from the combustion environment and from the inert condition. Moisture content in a particle slows down the heating rate of a particle. So, reaction is delayed by the moisture content. However, RDF samples those are easy to break-up don't show the effect of moisture content. The result of continuous operation condition shows that proper moisture content promotes gasification because steam from the particles helps gasification of the solid fuel. A simulation to predict the syn-gas composition was conducted by the Aspen Plus process simulator. The cold gas efficiency of the experiment was compared with results from the simulation.

• 한국신재생에너지학회:학술대회논문집
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• 2011.11a
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• pp.74.1-74.1
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• 2011

As a demand for energy, many studies are increasing about energy resource. One of these resources is coal which reserves of underground. A lot of research to use coal is going on as method of IGCC (Integrated Gasification Combined Cycle). In addition, SNG(Substitute Natural Gas) and IGFC (Integrated Gasification Fuel Cell) are also being developed for fuel & electricity. This technology which uses synthesis gas after gasification is to produce electricity from the Fuel Cell. At this point, important thing is the components of synthesis gas. The main objective is to increase the proportion of methane and hydrogen in synthesis gas. The catalytic gasification is suitable to enhance the composition of methane and hydrogen. In this study, Exxon Predevelopment catalyst gasification study was served as a good reference and then catalytic gasification simulation process is conducting using Aspen Plus in this research. For this modelling, kinetic value should be calculated from Exxon's report which is used for modeling catalytic gasification. Catalytic gasification model was performed by following above method and was analyzed by thermodynamic method through simulation results.

• Korean Chemical Engineering Research
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• v.56 no.4
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• pp.496-523
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• 2018

The objective of this study is to evaluate the economic feasibility of two fast pyrolysis and biooil upgrading (FPBU) plants including feed drying, fast pyrolysis by fluidized-bed, biooil recovery, hydro-processing for biooil upgrading, electricity generation, and wastewater treatment. The two FPBU plants are Case 1 of an FPBU plant with steam methane reforming (SMR) for $H_2$ generation (FPBU-HG, 20% yield), and Case 2 of an FPBU with external $H_2$ supply (FPBUEH, 25% yield). The process flow diagrams (PFDs) for the two plants were constructed, and the mass and energy balances were calculated, using a commercial process simulator (ASPEN Plus). A four-level economic potential approach (4-level EP) was used for techno-economic analysis (TEA) under the assumption of sawdust 100 t//d containing 40% water, 30% equity, capital expenditure equal to the equity, $H_2$ price of $1050/ton, and hydrocarbon yield from dried sawdust equal to 20 and 25 % for Case 1 and 2, respectively. TCI (total capital investment), TPC (total production cost), ASR (annual sales revenue), and MFSP (minimum fuel selling price) of Case 1 were $22.2 million, $3.98 million/yr, $4.64 million/yr, and $1.56/l, respectively. Those of Case 2 were $16.1 million, $5.20 million/yr, $5.55 million/yr, and $1.18/l, respectively. Both ROI (return on investment) and PBP (payback period) of Case 1(FPBU-HG) and Case 2(FPBU-EH) were the almost same. If the plant capacity increases into 1,500 t/d for Case 1 and Case 2, ROI would be improved into 15%/yr.

• Journal of Energy Engineering
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• v.6 no.1
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• pp.104-113
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• 1997

This study aims to develop an analysis model using a commercial process simulator-ASPEN PLUS for an IGCC (Integrated Gasification Combined Cycle) system consisting a dry coal feeding, oxygen-blown entrained gasification process by Shell, a low temperature gas clean up process, a General Electric MS7001FA gas turbine, a three pressure, natural recirculation heat recovery steam generator, a regenerative, condensing steam turbine and a cryogenic air separation unit. The comparison between those results of this study and reference one done by other engineer at design conditions shows consistency which means the soundness of this model. The greater moisture contents in Illinois#6 coal causes decreasing gasifier temperature and the greater ash and sulfur content hurt system efficiency due to increased heat loss. As the results of sensitivity analysis using developed model for the parameters of gasifier operating pressure, steam/coal ratio and oxygen/coal ratio, the gasifier temperature increases while combustible gases (CO＋H2) decreases throughout the pressure going up. In the steam/coal ratio analysis, when the feeding steam increases the maximum combustible gas generation point moves to lower oxygen/coal ratio feeding condition. Finally, for the oxygen/coal ratio analysis, it shows oxygen/coal ratio 0.77 as a optimum operating condition at steam/coal feeding ratio 0.2.

• Korean Chemical Engineering Research
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• v.54 no.2
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• pp.248-254
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• 2016

Efficacious wastewater treatment is essential for increasing sewage sludge volume and implementing strict environmental regulations. The operation cost of sludge treatment amounts up to 50% of the total costs for wastewater treatment plants, therefore, an economical sludge destruction method is crucially needed. Amid several destruction methods, wet air oxidation (WAO) can efficiently treat wastewater containing organic pollutants. It can be used not only for sludge destruction but also for useful by-product production. Volatile fatty acids (VFAs), one of many byproducts, is considered to be an important precursor of biofuel and chemical materials. Its high reaction condition has instituted the study of gravity pressure reactor (GPR) for an economical process of WAO to reduce operation cost. Simulation of subcritical condition was conducted using Aspen Plus with predictive Soave-Redlich-Kwong (PSRK) equation of state. Conjointly, simulation analysis for GPR depth, oxidizer type, sludge flow rate and oxidizer injection position was carried out. At GPR depth of 1000m and flow rate of 2 ton/h, the conversion and yield of VFAs were 92.02% and 0.17g/g, respectively.

• Korean Chemical Engineering Research
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• v.48 no.2
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• pp.253-258
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• 2010

In the field of the $CO_2$ absorption process using aqueous ammonia, the effects of regeneration pressure and temperature on $CO_2$ absorption performances of the aqueous ammonia were investigated. The absorbents were prepared by dissolving ammonium carbonate solid in water to grant the resulted solution 0.5 $CO_2$ loading ($mol\;CO_2/mol\;NH_3$) and various ammonia concentration (14, 20, 26 and 32 wt%). As-prepared absorbents were regenerated at high pressure and temperature (over $120^{\circ}C$ and 6 bar) before the absorption test. The absorption test was carried out by injecting the simulated gas that contains 12 vol% of $CO_2$ into a bubbling reactor. The introduction of 26 wt% of the ammonia concentration for $CO_2$ absorption test resulted in the higher absorption capacities than other experimental conditions. In particular, when the absorbents with 26 wt% of the ammonia were regenerated at $150^{\circ}C$ and 14 bar, the highest absorption capacity, $45ml\;CO_2/g$, was obtained. According to the analysis of absorbents using acid-base titration, the ammonia loss during the regeneration of the absorbents with a fixed ammonia concentration decreased as the regeneration pressure increased, while it increased as the regeneration temperature increased. In the condition of fixed regeneration pressure and temperature, as expected, the ammonia loss increased as the ammonia concentration increased. The measured $CO_2$ loadings and ammonia concentrations of absorbents were compared to the values calculated by Electrolyte NRTL model in Aspen Plus.

• Korean Chemical Engineering Research
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• v.61 no.4
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• pp.542-549
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• 2023

Since the growing interest in surrogate modeling, there has been continuous research aimed at simulating nonlinear chemical processes using data-driven machine learning. However, the opaque nature of machine learning models, which limits their interpretability, poses a challenge for their practical application in industry. Therefore, this study aims to analyze chemical processes using Explainable Artificial Intelligence (XAI), a concept that improves interpretability while ensuring model accuracy. While conventional sensitivity analysis of chemical processes has been limited to calculating and ranking the sensitivity indices of variables, we propose a methodology that utilizes XAI to not only perform global and local sensitivity analysis, but also examine the interactions among variables to gain physical insights from the data. For the ammonia synthesis process, which is the target process of the case study, we set the temperature of the preheater leading to the first reactor and the split ratio of the cold shot to the three reactors as process variables. By integrating Matlab and Aspen Plus, we obtained data on ammonia production and the maximum temperatures of the three reactors while systematically varying the process variables. We then trained tree-based models and performed sensitivity analysis using the SHAP technique, one of the XAI methods, on the most accurate model. The global sensitivity analysis showed that the preheater temperature had the greatest effect, and the local sensitivity analysis provided insights for defining the ranges of process variables to improve productivity and prevent overheating. By constructing alternative models for chemical processes and using XAI for sensitivity analysis, this work contributes to providing both quantitative and qualitative feedback for process optimization.