• Korean Chemical Engineering Research
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• v.61 no.2
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• pp.328-339
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• 2023

Methanol steam reforming (MSR) is a promising method for hydrogen supplying as a critical step in hydrogen fuel cell commercialization in mobile applications. Modelling and understanding of the reactor behavior is an attractive research field to develop an efficient reformer. Three-layer feed-forward artificial neural network (ANN) and Box-Behnken design (BBD) were used to modelling of MSR process using the Cu-SiO₂ aerogel catalyst. Furthermore, impacts of the basic operational variables and their mutual interactions were studied. The results showed that the most affecting parameters were the reaction temperature (56%) and its quadratic term (20.5%). In addition, it was also found that the interaction between temperature and Steam/Methanol ratio is important on the MSR performance. These models precisely predict MSR performance and have great agreement with experimental results. However, on the basis of statistical criteria the ANN technique showed the greater modelling ability as compared with statistical BBD approach.

• The Journal of the Korea Contents Association
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• v.21 no.6
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• pp.306-317
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• 2021

With a global shift from carbon economy towards hydrogen economy, leading countries such as the U.S., Europe, China, and Japan are focusing their research capabilities on hydrogen research and development(R&D) by announcing various hydrogen economy policies. South Korea also has been following this global trend by announcing hydrogen economy roadmap in January 2019 and legislating hydrogen economy related law. In this paper, we tried to figure out the national R&D trend of Fuel Cell Electric Vehicle(FCEV) and its knowledge structure by using recent 10-year project data of National Technology and Information Service(NTIS). We collected 1,479 FCEV-related projects and conducted text mining and network analysis. According to the analysis, FCEV-related R&D has been actively carried out over the entire process of hydrogen production, transport, storage, and utilization. Furthermore, the paper provides insights into the government's policy agenda building and market strategy on the hydrogen economy.

• Journal of the Korean Chemical Society
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• v.57 no.6
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• pp.721-725
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• 2013

Reaction between 2-pyridinecarboxylic acid (Hpic) and $K_3[Cr(O_2)_4]$ give complex $[Cr(pic)_3].H_2O$ (1) which is characterized by elemental analysis and spectroscopic methods (FT-IR, Raman) and X-ray crystallography. In the crystal structure of 1, chromium atom with coordinated by three nitrogen and three oxygen atoms has a distorted octahedral geometry. Also a water molecule is incorporated in crystal network. Each water molecule acts as hydrogen bond bridging and connects two adjacent complexes by two $O-H{\cdots}O$ hydrogen bonds.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.08a
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• pp.107-107
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• 2011

Supramolecular structures of anthraquinone molecules on a metallic surface are studied using scanning tunneling microscope (STM) under ultrahigh-vacuum conditions. When we deposited anthraquinone molecules on Au(111) substrate, the molecules formed three different phases (Chevron type, tetragon type and disordered type) on the surface. Based on our STM measurements, we proposed models for the observed molecular structures. Chevrons are consisted of several molecular chains, which make well-ordered two-dimensional islands by some weak interrow interactions and we could observe tetragon structures which make array of (111) metallic surface. each molecular rows in the chevrons are stabilized by two parallel O-H hydrogen bonds and disordered structures are observed 1-dimensional phase with hydrogen bond. First-principles calculations based on density functional theory are performed to reproduce the proposed models. Distances and energy gains for each intermolecular bond are estimated. In this presentation, we explain possible origins of these molecular structures in terms of hydrogen bonds, Van der Waals interactions and molecule-substrate interactions.

• Journal of the Korean Ceramic Society
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• v.54 no.6
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• pp.535-538
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• 2017

Here we report the tunable electrical properties and chemical sensor of single-walled carbon nanotubes (SWCNTs) network-based devices with a functionalization technique. Formation of highly aligned SWCNT structures is made on $SiO_2/Si$ substrates using a template-based fluidic assembly process. We present a Platinum (Pt)-nanocluster decoration technique that reduces the resistivity of SWCNT network-based devices. This indicates the conversion of the semiconducting SWCNTs into metallic ones. In addition, we present the Hydrogen Sulfide ($H_2S$) gas detection by a redox reaction based on SWCNT networks functionalized with 2,2,6,6-Tetramethylpiperidine-1-oxyl (TEMPO) as a catalyst. We summarize current changes of devices resulting from the redox reactions in the presence of $H_2S$. The semiconducting (s)-SWCNT device functionalized with TEMPO shows high gas response of 420% at 60% humidity level compared to 140% gas response without TEMPO functionalization, which is about 3 times higher than bare s-SWCNT sensor at the same RH. These results reflect promising perspectives for real-time monitoring of $H_2S$ gases with high gas response and low power consumption.

• Elastomers and Composites
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• v.45 no.3
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• pp.165-169
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• 2010

Recently supramolecular network thermo-reversible crosslinking elastomer having flexibility, various functionality, and advantages of thermoplastic elastomer (TPE) such as recycle and easy processbility is introduced. Although thermo-reversible bonds such as hydrogen bond and ionic cluster is recognized as a common technology since 1990, control technology of bonding and dissociation of crosslink in supramolecular network is a recent technology. In this review, characteristics of thermo-reversible crosslinking elastomer having rheological properties of TPE and reinforcing behaviors of thermoset elastomer are summarized.

• Journal of the Korean Chemical Society
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• v.47 no.4
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• pp.334-338
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• 2003

The crystal structure of $[Co(phen)_2(Cl)(H_2O)] Clㆍ2H_2O$(phen=1,10-phenanthroline) has been determined by X-ray crystallography. It crystallizes in the triclinic system, space group P1, with lattice parameters a=9.662(2), b=11.445(1), c=13.037(2)${\AA}$ ${\alpha}$=64.02(1), ${\beta}$=86.364(9), ${\gamma}=78.58(2)^°$, and Z=2. The coordinated cations contain a six-coordinated cobalt atom chelated by two phen ligands and one chloride anion and one water ligand in cis arrangement. In addition to the chloride coordinated to the cobalt, there are one chloride ion and four water molecules which complete the crystal structure. In the solid state, the title compound forms three dimensional network structure through hydrogen bonds, within which exists the strongest hydrogen bond (O(3)-O(4)=2.33${\AA}$). The intermolecular hydrogen bonds connect the $[Co(phen)_2(Cl)(H_2O)]1+,\;H_2O$ moieties and chloride ion.

• Journal of the Korean Magnetic Resonance Society
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• v.11 no.2
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• pp.64-72
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• 2007

[ $^1H$ ] nuclear magnetic resonance (NMR) experiments have been performed at 30 - 300 K and 7 T to investigate dynamics of hydrogen bond network in the single crystal $(NH_4)_3H(SO_4)_2$. The two proton sites, ammonium proton and hydrogen-bond proton, are identified from the $^1H$ NMR MAS spectrum at 340 K. As temperature decreases, the $^1H$ NMR spectrum shifts to the higher frequency side with a larger linewidth. The spectrum at 65 K shows a distinctive change in line shape toward the ferroelectric transition at 63 K. The measured values of $T_1$ for ammonium and hydrogen-bond protons are similar in the whole range of temperature. $T_1$ of $^1H$ NMR shows a gradual decrease down to 120 K and starts to steeply increase below 100 K. Then $T_1$ shows abrupt decrease below 70 K with a sharp minimum at 63 K, where the ferroelectric transition occurs. This temperature dependence of spectrum and $T_1$ clearly prove that the large change in the dynamics of hydrogen bond network is associated with the ferroelectric phase transition at 63 K.

• Journal of Microbiology and Biotechnology
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• v.8 no.2
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• pp.158-164
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• 1998

Crystal structural analyses of the API-TLCK complex revealed that the ${\epsilon}$-amino group (NZ) of the lysyl part of TLCK forms hydrogen bonds with OD1 of $Asp^225$ which is a substrate specificity determinant of API, OG of $Ser^214$, O of $Ser^214$, OG1 of $Thr^189$, and O of $Thr^189$ l89/. The ${\beta}$-carboxyl oxygen of $Asp^225$ forms hydrogen bonds with the NE1 of $Trp^182$. From these observations, it is thought that besides $Asp^225$, $Thr^189$, $Ser^214$, and $Trp^182$ may also contribute to the steric specificity for lysine and high proteolytic activity of API. The side-chain hydroxyl groups of $Thr^189$ and $Ser^214$ were removed to elucidate the role of these hydrogen bonds in the $S_1$-pocket. The $k_{cat}$/$K_m$ of T189V, S214A, and T189V.S214A were decreased to 1/4, 1/3, and 1/46, respectively, of the value for native API. The decreased activities were mainly due to the increase of $K_m$. The CD and fluoroscence spectra of the three mutants were similar to those of wild-type API. With regards to the kinetic parameters ($K_i\;and\;k_2$) of mutants for the reaction involving TLCK and DFP, $k_2$decreased by increase of $K_1$ only. These results suggest that the decreased catalytic activity of these mutants is caused by the partial loss of the hydrogen bond network in the $S_1$-pocket. On the other hand, the similarity of enzymatic properties between W182F and the native enzyme suggests that the hydrogen bond between OD2 of $Asp^225$ and NE1 of $Trp^182$ is not directly related to the reaction of $Asp^225$ with the substrate.

• Bulletin of the Korean Chemical Society
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• v.32 no.12
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• pp.4392-4396
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• 2011

Porous silicon with a complex network of nanopores is utilized for photoelectrochemical energy conversion. A novel electroless Pt deposition onto porous silicon is investigated in the context of photoelectrochemical hydrogen generation. The electroless Pt deposition is shown to improve the characteristics of the PS photoelectrode toward photoelectrochemical $H^+$ reduction, though excessive Pt deposition leads to decrease of photocurrent. Furthermore, it is found that a thin layer (< 10 ${\mu}m$) of porous silicon can serve as anti-reflection layer for the underlying Si substrate, improving photocurrent by reducing photon reflection at the Si/liquid interface. However, as the thickness of the porous silicon increases, the surface recombination on the dramatically increased interface area of the porous silicon begins to dominate, diminishing the photocurrent.