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제일원리 전산모사법을 이용한 폐양액 수전해용 코발트 산화물 촉매의 흡착 이온 특성 연구
우주완,이종민,서민호 한국표면공학회 2023 한국표면공학회지 Vol.56 No.6
In the industry, it is recognized that human activities significantly lead to a large amount of wastewater, mainly due to the increased use of water and energy. As a result, the growing field of wastewater resource technology is getting more attention. The common technology for hydrogen production, water electrolysis, requires purified water, leading to the need for desalination and reprocessing. However, producing hydrogen directly from wastewater could be a more cost-effective option compared to traditional methods. To achieve this, a series of first-principle computational simulations were conducted to assess how waste nutrient ions affect standard electrolysis catalysts. This study focused on understanding the adsorption mechanisms of byproducts related to the oxygen evolution reaction (OER) in anion exchange membrane (AEM) electrolysis, using Co3O4 as a typical non-precious metal catalyst. At the same time, efforts were made to develop a comprehensive free energy prediction model for more accurate predictions of OER results.
수도권 영역의 시간 후방 모드 WRF-FLEXPART 모의를 위한 입자 수에 따른 무작위 오차의 정량 분석
우주완,이재형,이상현 한국기상학회 2019 대기 Vol.29 No.5
Quantitative understanding of a random error that is associated with Lagrangian particle dispersion modeling is a prerequisite for backward-in-time mode simulations. This study aims to quantify the random error of the WRF-FLEXPART model and suggest an optimum number of the Lagrangian particles for backward-in-time simulations over the Seoul metropolitan area. A series of backward-in-time simulations of the WRF-FLEXPART model has conducted at two receptor points by changing the number of Lagrangian particles and the relative error, as a quantitative indicator of random error, is analyzed to determine the optimum number of the release particles. The results show that in the Seoul metropolitan area a 1-day Lagrangian transport contributes 80~90% in residence time and ~100% in atmospheric enhancement of carbon monoxide. The relative errors in both the residence time and the atmospheric concentration enhancement are larger when the particles release in the daytime than in the nighttime, and in the inland area than in the coastal area. The sensitivity simulations reveal that the relative errors decrease with increasing the number of Lagrangian particles. The use of small number of Lagrangian particles caused significant random errors, which is attributed to the random number sampling process. For the particle number of 6000, the relative error in the atmospheric concentration enhancement is estimated as 6% ± 10% with reduction of computational time to 21% ± 7% on average. This study emphasizes the importance of quantitative analyses of the random errors in interpreting backward-in-time simulations of the WRF-FLEXPART model and in determining the number of Lagrangian particles as well.