• Bulletin of the Korean Chemical Society
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• v.26 no.12
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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.

• Journal of the Korean Society of Safety
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• v.39 no.1
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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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• v.25 no.12
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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.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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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.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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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.

• Journal of Radiation Industry
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• v.6 no.1
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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.

• Transactions of the Korean hydrogen and new energy society
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• v.26 no.3
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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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• v.51 no.2
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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.

• Journal of the Korean Institute of Gas
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• v.28 no.1
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• pp.44-52
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• 2024

This study presents a novel approach to hydrogen production by biogas from organic waste without CO₂ removal. A process model was developed to reduce the costs associated with biogas pretreatment and purification processes. Through optimization of heat exchange networks, the simulation aimed to minimize process costs, maximizing hydrogen production and flue gas temperature. The results reveal that the most efficient process model maximizes the flue gas temperature while following the constraint of the number of heat exchangers. These findings hold promise for contributing to the expansion of "Biogas-to-clean hydrogen" energy conversion technology.

• Korean Chemical Engineering Research
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• v.52 no.6
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• pp.720-726
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• 2014

PEM fuel cell vehicles have been getting much attraction due to a sort of highly clean and effective transportation. The onboard fuel processor, however, is inevitably required to supply the hydrogen by conversion from some fuels since there are not enough available hydrogen stations nearby. A lot of studies have been focused on analyses of ATR reactor under the assumption of thermo-neutral condition and those of the optimized process for the minimization of energy consumption using thermal efficiency as an objective function, which doesn't guarantee the maximum hydrogen production. In this study, the analysis of optimization for 100 kW PEMFC onboard fuel processor was conducted targeting various fuels such as gasoline, LPG, diesel using newly defined hydrogen efficiency and keeping simply synthesized heat exchanger network regardless of external utilities leading to compactness and integration. Optimal result of gasoline case shows 9.43% reduction compared to previous study, which shows the newly defined objective function leads to better performance than thermal efficiency in terms of hydrogen production. The sensitivity analysis was also done for hydrogen efficiency, heat recovery of each heat exchanger, and the cost of each fuel. Finally, LPG was estimated as the most economical fuel in Korean market.