• Clean Technology
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• v.7 no.4
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• pp.265-272
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• 2001

본 연구는 지구 온난화 현상의 주원인이 되는 $CO_2$ 를 화력발전소 연도가스로부터 분리 회수하기 위한 PSA 공정 개발용 기초자료를 습득하기 위하여 실시하였다. 연도가스와 유사한 조건하에서 국내에서 제조된 활성탄을 이용하여 이산화탄소 및 밸런스를 이루고 있는 질소 가스의 흡착평형 및 흡착속도 실험을 실시하였으며, 분석을 위하여 자체 제작한 장치(부피측정법) 및 TGA 장치를 각각 사용하였다. 이 연구에서 획득한 흡착등온선으로부터 사용된 흡착제가 이산화탄소의 분리에 적절한지 판단할 수 있었다. 또한, TGA에 의해 측정된 흡착속도 자료는 향후 사용될 흡착탑의 파과곡선 예측에 사용될 수 있다. 연구결과로부터 다음과 같은 사실을 알 수 있었다. 첫째, 낮은 흡착온도 일수록 흡착량이 많고 빠른 흡착속도를 나타내었다. 둘째, 압력이 높아질수록 흡착량은 증가하였다. 셋째, SGT활성탄이 SGA-100 및 SGP-100활성탄 보다 다소 많은 흡착량과 빠른 흡착속도를 보였다.

• 한국신재생에너지학회:학술대회논문집
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• 2010.11a
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• pp.113.2-113.2
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• 2010

We report that the novel covalent organic frameworks (COFs) are capable of reversibly providing an extremely high uptake capacity of carbon dioxide and hydrogen at room temperature. These COFs are designed based on the multiscale simulations approach via the combination of ab initio calculations and force-field calculations. For this goal, we explore the adsorption sites of carbon dioxide and hydrogen on COFs, their porosity, as well as carbon dioxide adsorption isotherms. We identify the binding sites and energies of $CO_2$ on COFs using ab initio calculations and obtain the carbon dioxide adsorption isotherms using grand canonical ensemble Monte Carlo calculations. Moreover, the calculated adsorption isotherms are compared with the experimental values in order to build the reference model in describing the interactions between the $CO_2/H_2$ and the COFs and in predicting the $CO_2$ and $H_2$ adsorption isotherms of COFs. Finally, we design three new COFs, 2D COF-05, 3D COF-05 (ctn), and 3D COF-05 (bor), for the high capacity $CO_2/H_2$ and $H_2$ storage.

• Clean Technology
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• v.30 no.3
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• pp.248-257
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• 2024

Carbon dioxide is an undesired component of biogas and landfill gas. As a result, it needs to be removed from these mixtures in order to increase their heating value and reduce corrosion during treatment. Zeolites are a class of microporous materials that can be used as adsorbents for the separation of carbon dioxide from gas mixtures. In this work, the pure gas adsorption isotherms of methane and carbon dioxide and the selectivity of their mixture onto LTA-4A, FAU-13X and FAU-NaY adsorbents at temperatures of 273, 298 and 323 K and pressures up to 30 bars were calculated by the Monte Carlo method. Also, the influence of a flexible framework in a set of zeolites on the separation of methane and carbon dioxide was studied. Carbon dioxide adsorption onto the zeolites used in this work was more favorable than methane adsorption. The FAU-13X adsorbent had the highest adsorption capacity among the studied adsorbents. However, the selectivity of carbon dioxide over methane for LTA-4A was the highest. The adsorption capacities of a rigid framework were higher than those of a flexible framework. The influence of the framework flexibility in FAU on adsorption capacity was small. In contrast, its influence on selectivity seemed to be much larger.

• Korean Journal of Mineralogy and Petrology
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• v.36 no.4
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• pp.221-232
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• 2023

Carbon neutrality requires carbon dioxide reduction technology and alternative green energy sources. Palygorskite is a clay mineral with a ribbon structure and possess a large surface area due to the nanoscale pore size. The clay mineral has been proposed as a potential material to capture carbon dioxide (CO₂) and possibly to store eco-friendly hydrogen gas (H2). We report our preliminary results of grand canonical Monte Carlo (GCMC) simulations that investigated the adsorption isotherms and mechanisms of CO₂ and H₂ into palygorskite nanopores at room temperature. As the chemical potential of gas increased, the adsorbed amount of CO₂ or H₂ within the palygorskite nanopores increased. Compared to CO₂, injection of H₂ into palygorskite required higher energy. The mean squared displacement within palygorskite nanopores was much higher for H₂ than for CO₂, which is consistent with experiments. Our simulations found that CO₂ molecules were arranged in a row in the nanopores, while H₂ molecules showed highly disordered arrangement. This simulation method is promising for finding Earth materials suitable for CO₂ capture and H₂ storage and also expected to contribute to fundamental understanding of fluid-mineral interactions in the geological underground.

• Applied Chemistry for Engineering
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• v.9 no.1
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• pp.76-81
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• 1998

Physical adsorption on a silica gel(pore size of 80 nm, particle size of $10{\mu}m$)has been studied for binary mixture of acetone diluted in $CO_2$ by use of a FTIR transmission technique and we have compared the result of FTIR transmission technique with that of a chromatographic technique. Measurements were made at 313.2 K and under pressures up to 15MPa. As the pressure increases from 0.1MPa, the IA(Integral Absorbance) of the hydrogen-bonded OH groups interacting with acetone and adsorbed amount by use of a chromatographic technique increases at first, and reaches a maximum at a pressure below the critical pressure of $CO_2$, and then the intensities decrease gradually with increasing pressure. It is found that the pressure dependency of the chromatographic isotherm is a little larger than that of spectroscopic isotherm in the supercritical fluid region. This difference might be attributable to the weaker van der Waals force and relatively stronger hydrogen-bonding force influencing the adsorption of acetone on the sllica gel. The unique spectroscopic characteristics of amine group which vibrational frequencies of hydroxyl groups on the silica gel surface shift downward to about $1300cm^{-1}$ were measured from experimental result of triethylamine diluted in $CO_2$ or $N_2$.

• Journal of Korean Society of Environmental Engineers
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• v.27 no.6
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• pp.614-619
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• 2005

The activated carbon fibers of different surface area and pore structures were modified by carbon deposition from the pyrolysis of benzene, in an attempt to obtain carbon molecular sieves of high adsorption capacity and selectivity for the separation of $CO_2/CH_4$ gas mixtures. The ACFs molecular sieves prepared from different temperature and time were tested by the static adsorption of $CO_2$ and $CH_4$ gas, and their pore structures were characterized by the $N_2$ adsorption isotherms. We are able to prepare ACF molecular sieve with good selectivity for $CO_2/CH_4$ separation and showing acceptable adsorption capacities from the change of porosity by carbon deposition of pyrolyzed benzene.