• Bulletin of the Korean Chemical Society
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• 제26권12호
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• pp.2001-2006
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• 2005

Glycoproteins and glycolipids play key roles in intracellular reactions between cells and their environments at the membrane surface. For better understanding of the nature of these events, it is necessary to know threedimensional structures of those carbohydrates, involved in them. Since carbohydrates contain many hydroxyl groups which can serve both as hydrogen bond donors and acceptors, hydrogen bond is an important factor stabilizing the structure of carbohydrate. DMSO is an aprotic solvent frequently used for the study of carbohydrates because it gives detailed insight into the intramolecular hydrogen bond network. In this study, conformational properties and the hydrogen bonds in $\beta$-lactose in DMSO are investigated by NMR spectroscopy and molecular dynamics simulations. NOEs, temperature coefficients, deuterium isotope effect, and molecular dynamics simulations proved that there is a strong intramolecular hydrogen bond between O3 and HO2' in $\beta$-lactose and also OH3 in $\beta$-lactose may form an intermolecular hydrogen bond with DMSO.

• 한국안전학회지
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• 제39권1호
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• pp.27-32
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• 2024

This study analyzed cases of hydrogen (H₂) and natural gas (CH₄) leakage from a hydrogen-blended natural gas pipeline to determine a range of leakage characteristics, including leakage type, pipe material, pipe diameter, pressure, and damage size. Based on the results of this analysis, five hydrogen-blended natural gas leakage scenarios were selected. The national vision for a carbon-neutral society by 2050 is a very important strategic objective and promotes environmentally sustainable economic development in the age of the climate crisis. Accordingly, zero-carbon and low-carbon policies are being promoted in various fields, including energy production, consumption, and industrial processes. Hydrogen-blended natural gas is eco-friendly and is considered an important step towards carbon neutrality, with various countries including the United States and several European countries conducting empirical research to further investigate its potential. In Korea, a national research project commenced in April 2023 to verify and demonstrate the life cycle safety of blending hydrogen into the natural gas network. The results of this study will provide important data for the analysis of the damage impacts caused by the leakage of hydrogen-blended natural gas, such as the diffusion of gas clouds, fires, and gas explosions.

• Bulletin of the Korean Chemical Society
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• 제25권12호
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• pp.1869-1873
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• 2004

trans-Dihydroxo[5,10,15,20-tetrakis(n-pyridyl)porphyrinato]tin(IV) (n = 3 and 4) complexes have been synthesized and fully characterized. X-ray structural analysis of trans-dihydroxo[5,10,15,20-tetrakis(4-pyridyl)porphyrinato]tin(IV) reveals that the supramolecular hydrogen bondings between the hydroxotin(IV) porphyrins and lattice water molecules form a hydrogen-bonded two-dimensional network. The hydrogen bonding mode between the tin(IV) porphyrins and the water molecules closely resembles that of the hydrogenbonded outer-sphere intermediate in the acidolysis of dihydroxotin(IV) porphyrins.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2009년도 제38회 동계학술대회 초록집
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• pp.11-11
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• 2010

Supramolecualr ordering has been actively studied due to it's possible applications to the fabrication processes of nano-electronic devices. Van der Waals interaction and hydrogen bonding are frequently studied mechanisms for various molecular structures based on non-uniform charge distributions. Halogen atoms in molecules can have electrostatic interactions with similar strength. Big halogen atoms have strong non-uniform charge distributions. To study molecular orderings formed by hydrogen and halogen interactions, we chose a molecular system containing oxygen, hydrogen, and bromine atoms, a bromo-quinone. A two-dimensional molecular network was studied on Au(111) using a low-temperature scanning tunneling microscope. Bromo-quinonemolecules form self-assembled square grids having windmill structures. Their molecular orderings, chiral structures, and defects are explained in terms of hydrogen and halogen interactions.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2009년도 제38회 동계학술대회 초록집
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• pp.354-354
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• 2010

Supramolecualr ordering has been actively studied due to it's possible applications to the fabrication processes of nano-electronic devices. Van der Waals interaction and hydrogen bonding are frequently studied mechanisms for various molecular structures based on non-uniform charge distributions. Halogen atoms in molecules can have electrostatic interactions with similar strength. Big halogen atoms have strong non-uniform charge distributions. To study molecular orderings formed by hydrogen and halogen interactions, we chose a molecular system containing oxygen, hydrogen, and bromine atoms, a bromo-quinone. A two-dimensional molecular network was studied on Au(111) using a low-temperature scanning tunneling microscope. Bromo-quinone molecules form self-assembled square grids having windmill structures. Their molecular orderings, chiral structures, and defects are explained in terms of hydrogen and halogen interactions.

• 방사선산업학회지
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• 제6권1호
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• pp.89-94
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• 2012

Three-dimensional network hydrogels were prepared by ${\gamma}$-irradiation of aqueous solutions of poly(vinyl alcohol) (PVA) and glycerol (Gly). Oven-drying was used to measure the gel fraction (G), hydration (H) or swelling behavior (S) of the prepared hydrogels. This study made a hypothesis that hydrogen bonds due to addition of glycerol and change of dry states such as freeze-drying (FD), room-drying (RD) and oven-drying (OD) acts on the G, H, and S. Interesting results on the hydrogen bonding effect in the prepared hydrogels are monitored at different drying conditions. The FD samples have a higher G values with increase in glycerol content as compared with the OD and RD samples. The formation of strong hydrogen bonding network among Gly molecules and hydrogel matrix was considered as the main driving force, resulting in the changes in the G, H, and S of the hydrogels under different drying conditions.

• 한국수소및신에너지학회논문집
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• 제26권3호
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• pp.294-299
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• 2015

Free piston linear engine (FPLE) is a promising concept being explored in the mid-20th century. On the other hand, Arficial neural networks (ANNs) are non-linear computer algorithms and can model the behavior of complicated non-linear processes. Some researchers already studied this method to predict internal combustion engine characteristics. However, no investigation to predict the performance of a FPLE using ANN approach appears to have been published in the literature to date. In this study, the ability of an artificial neural network model, using a back propagation learning algorithm has been used to predict the in-cylinder pressure, frequency, maximum stroke length of a free piston linear engine. It is advised that, well-trained neural network models can provide fast and consistent results, making it an easy-to-use tool in preliminary studies for such thermal engineering problems.

• Nuclear Engineering and Technology
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• 제51권2호
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• pp.424-431
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• 2019

The aim of the present study was to develop model for detonation cell sizes prediction based on a deep artificial neural network of hydrogen, methane and propane mixtures with air and oxygen. The discussion about the currently available algorithms compared existing solutions and resulted in a conclusion that there is a need for a new model, free from uncertainty of the effective activation energy and the reaction length definitions. The model offers a better and more feasible alternative to the existing ones. Resulting predictions were validated against experimental data obtained during the investigation of detonation parameters, as well as with data collected from the literature. Additionally, separate models for individual mixtures were created and compared with the main model. The comparison showed no drawbacks caused by fitting one model to many mixtures. Moreover, it was demonstrated that the model may be easily extended by including more independent variables. As an example, dependency on pressure was examined. The preparation of experimental data for deep neural network training was described in detail to allow reproducing the results obtained and extending the model to different mixtures and initial conditions. The source code of ready to use models is also provided.

• 한국가스학회지
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• 제28권1호
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• pp.44-52
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• 2024

본 연구에서는 유기성 폐기물로부터 생산되는 바이오가스를 이산화탄소 제거 없이 직접 이용하여 바이오가스 전처리 및 정제 공정 비용을 절감하여 수소를 생산하는 공정의 모델을 구축하고 열교환망 최적화를 통해 공정비용 최소화, 수소 생산량 및 최종 배가스 온도 최대화를 목표로 공정 모사를 진행하였다. 공정 최적화 결과 열교환기 개수 제한조건을 충족하면서 최종 배가스 온도를 최대화하는 공정모델이 가장 효율적임을 확인하였다. 본 연구의 결과는 바이오가스 직접 이용 수소 생산 공정의 상용개념설계에 활용되어 바이오가스의 청정수소 에너지 전환기술 확대에 기여 가능할 것으로 판단된다.

• Korean Chemical Engineering Research
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• 제52권6호
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• pp.720-726
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• 2014

PEMFC(Proton Exchange Membrane Fuel Cell) 차량은 미래 청정수송기관으로 각광받고 있지만 수소스테이션의 인프라부족으로 현재는 수소를 공급해주는 연료개질기를 함께 장착하여 구동하여야 한다. 탄화수소연료로부터 수소를 생산하는 연료개질기를 대상으로 다양한 연구가 진행되어왔는데 기존연구에서는 열적중립 조건의 ATR(Auto-Thermal Reformer) 반응기에 대해 집중적으로 분석하거나 공정최적화부문에서 최대수소생산을 목표로 주로 열효율을 목적함수로 설정하여 평가해 왔다. 본 연구에서는 100 kW PEMFC용 연료개질기를 대상으로 간단한 소형시스템을 얻기 위해 외부 유틸리티가 필요없는 단열열교환망으로 구성된 조건에서 기존 열효율이 아닌 수소효율을 새로이 정의하여 가솔린, LPG, 디젤 각 연료에 대해 최적운전조건을 도출하였다. 가솔린의 경우 기존 비교문헌보다 9.43% 연료절감효과를 얻음으로써 제안한 목적함수의 타당성을 입증하였고, 추가적으로 수소효율 및 열교환량, 열교환면적에 대한 민감도 분석을 실시하였다. 마지막으로 제안한 시스템을 한국시장에 적용할 경우 LPG 연료를 사용하는 연료개질기가 가장 경제적임을 알 수 있었다.