• Bulletin of the Korean Chemical Society
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• 제34권12호
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• pp.3641-3648
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• 2013

Energy transfer and bond dissociation of $C-H_{methyl}$ and $C-H_{ring}$ in excited toluene in the collision with $H_2$ and $D_2$ have been studied by use of classical trajectory procedures at 300 K. Energy lost by the vibrationally excited toluene to the ground-state $H_2/D_2$ is not large, but the amount increases with increasing vibrational excitation from 5000 and $40,000cm^{-1}$. The principal energy transfer pathway is vibration to translation (V-T) in both systems. The vibration to vibration (V-V) step is important in toluene + $D_2$, but plays a minor role in toluene + $H_2$. When the incident molecule is also vibrationally excited, toluene loses energy to $D_2$, whereas it gains energy from $H_2$ instead. The overall extent of energy loss is greater in toluene + $D_2$ than that in toluene + $H_2$. The different efficiency of the energy transfer pathways in two collisions is mainly due to the near-resonant condition between $D_2$ and C-H vibrations. Collision-induced dissociation of $C-H_{methyl}$ and $C-H_{ring}$ bonds occurs when highly excited toluene ($55,000-70,400cm^{-1}$) interacts with the ground-state $H_2/D_2$. Dissociation probabilities are low ($10^{-5}{\sim}10^{-2}$) but increase exponentially with rising vibrational excitation. Intramolecular energy flow between the excited C-H bonds occurring on a subpicosecond timescale is responsible for the bond dissociation.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2005년도 제17회 워크샵 및 추계학술대회
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• pp.711-711
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• 2005

• 한국수소및신에너지학회논문집
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• 제31권5호
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• pp.405-410
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• 2020

In this literature, we are introduce a basic design of multi energy hub based on natural gas governor station. Multi energy hub consists of turbo expender generator, phosphoric acid fuel cell, pressure swing adsorption, H₂ charging station, utilities and etc. We design a hybrid energy hub system that provides energy using these complex energies, and calculates the amount of electricity that can be produced and the amount of hydrogen charged through the process analysis. TEG and phosphoric acid fuel cell produce 2,290 to 2,380 kW and can supply electricity to 500 houses. In addition, By-product H₂ gas is refined to H₂ vehicle fuel. This will help maximize the balance of energy demand and supply and improve national energy efficiency by integrating unused decompression energy power generation technology and various power generation/heat source technologies.

• 한국수소및신에너지학회논문집
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• 제26권3호
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• pp.199-205
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• 2015

Organic wastes such as food waste (FW), livestock wastewater (LW), and sewage sludge (SWS) can produce hydrogen ($H_2$) by anaerobic acid fermentation. Expecially, FW which has high carbohydrate content produces $H_2$ and short chain fatty acids by indigenous $H_2$ producing microorganisms without adding inoculum, however $H_2$ production rate (HPR) and yield have to be improved to use a commercially available technology. In this study, LW was mixed to FW in different ratios (on chemical oxygen demand (COD) basis) as an auxiliary substrate. The mixture of FW and LW was pretreated at pH 2 using 6 N HCl for 12 h and then fermented at $37^{\circ}C$ for 28 h. HPR of FW, 254 mL $H_2/L/h$, was increased with the addition of LW, however, mixing ratio of LW to FW was reversely related to HPR, exhibiting HPR of 737, 733, 599, and 389 mL $H_2/L/h$ at the ratio of FW:LW=10:1, 10:2, 10:3, and 10:4 on COD basis, respectively. Maximum HPR and $H_2$ production yield of 737 $H_2/L/h$ and 1.74 mol $H_2/mol$ hexoseadded were obtained respectively at the ratio of FW:LW=10:1. Butyrate was the main organic acid produced and propionate was not detected throughout the experiment.

• 대한화학회지
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• 제52권3호
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• pp.322-327
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• 2008

HOOCl-H2O cluster에 대하여 안정한 구조와 결합에너지를 MP2/6-311G(d,p), MP2/6-311G(2d,2p)의 방법으로 계산하였고 vibrational frequency계산을 하여 HOOCl의 vibrational frequency와 비교하였다. Skew HOOCl-H2O cluster가 가장 안정한 cluster로 나타났고 결합에너지는 46~48 kJ/mol 정도이며 trans HOOCl-H2O cluster의 경우도 이보다 불안정하나 비교적 큰 결합에너지를 갖는 것으로 나타났다.

• 한국수소및신에너지학회논문집
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• 제22권3호
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• pp.333-339
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• 2011

In the present work, it was attempted to produce $H_2$ from food waste by the two-stage fermentation system. Food waste was acidified to lactate by using indigenous lactic acid bacteria under mesophilic condition, and the lactate fermentation effluent (LFE) was subsequently converted to $H_2$ by photo-fermentation. $Rhodobacter$ $sphaeroides$ KD131 was used as the photo-fermenting bacteria. The optimal conditions for lactate fermentation were found to be pH of 5.5 and substrate concentration of 30 g Carbo. COD/L, under which yielded 1.6 mol lactate/mol glucose. By filtering the LFE and adding trace metal, $H_2$ production increased by more than three times compared to using raw LFE, and finally reached the $H_2$ yield of 3.6 mol $H_2$/mol lactate. Via the developed two-stage fermentation system $H_2$ yield of 5.8 mol $H_2$/mol glucose was achieved from food waste, whose value was the highest that ever recorded.

• 한국수소및신에너지학회논문집
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• 제30권2호
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• pp.119-127
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• 2019

Reliable $H_2$ supply is necessary for entering a $H_2$ society. Among the various $H_2$ storage and transportation methods, liquid organic $H_2$ carrier (LOHC) is in the spotlight because of a lot of advantages compared to conventional one such as compressed $H_2$ and liquefied $H_2$. Therefore, we performed preliminary economic analysis of $H_2$ supply cost using LOHC for a $H_2$ production capacity of $300Nm^3\;h^{-1}$ employing itemized cost estimation and sensitivity analysis to evaluate economic viability of this technology in Korea.

• 한국수소및신에너지학회논문집
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• 제1권1호
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• pp.40-47
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• 1989

The sulfur-iodine thermochemical water splitting process of GA(General atomic) cycle was studied to produce hydrogen from water by $H_2-I_2-SO_2$ reactions. The experimental scale was 500g based on iodine. The reaction took 100 minutes, products could be separated two liquid phases due to their density difference:HI solution had a density of 2.39~2.61g/cc, and $H_2SO_4$ solution had 1.37~1.38g/cc. The condition of reaction was when weight ratio of $I_2/H_2O$ was 2/1 resulting in good phase separation and productivity.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2013년도 제44회 동계 정기학술대회 초록집
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• pp.269-269
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• 2013

Usingvan der Waals (vdW) energy-corrected density-functional theory without or with self-consistent screening (SCS) effects, we calculate the adsorption energy of acetylene, ethylene and benzene on Si(100). We find that vdW interactions without SCS effects increase the adsorption energy by 0.23, 0.30, and 0.64 eV for adsorbed $C_2H_2$, $C_2H_4$, and $C_6H_6$ on Si(100), respectively. However, if SCS effects are included, this increase of the adsorption energy is reduced as 0.19, 0.24, and 0.54 eV for the three adsorption systems, respectively. The resulting adsorption energy for each system is between the values computed using the local-density approximation and the generalized-gradient approximation.

• 한국수소및신에너지학회논문집
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• 제22권3호
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• pp.326-332
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• 2011

The authors examined the effects of operating parameters on the $H_2$ production by dark fermentation of the wastewater generated from food waste recycling facilities, in short "food waste wastewater (FWW)". Central composite design based response surface methodology was applied to analyze the effect of initial pH (5.5-8.5) and substrate concentration (2-20 g Carbo. COD/L) on $H_2$ production. The experiment was conducted under mesophilic ($35^{\circ}C$) condition and a heat-treated ($90^{\circ}C$ for 20min)anaerobic digester sludge was used as a seeding source. Although there was a little difference in carbohydrate removal, $H_2$ yield was largely affected by the experimental conditions, from 0.38 to 1.77 mol $H_2$/mol $hexose_{added}$. By applying regression analysis, $H_2$ yield was well fitted based on the coded value to a second order polynomial equation (p = 0.0243): Y = $1.78-0.17X_1+0.30X_2+0.37X_1X_2-0.29X_1{^2}-0.35X_2{^2}$, where $X_1$, $X_2$, and Y are pH, substrate concentration (g Carbo. COD/L), and hydrogen yield (mol $H_2$/mol $hexose_{added}$), respectively. The 2-D response surface clearly showed a high inter-dependency between initial pH and substrate concentration, and the role of these two factors was to control the pH during fermentation. According to the statistical optimization, the optimum condition of initial pH and substrate concentration were 7.0 and 13.4 g Carbo. COD/L, respectively, under which predicted $H_2$ yield was 1.84 mol $H_2$/mol $hexose_{added}$. Microbial analysis using 16S rRNA PCR-DGGE showed that $Clostridium$ sp. such as $Clostridium$ $perfringens$, $Clostridium$ $sticklandii$, and $Clostridium$ $bifermentans$ were main $H_2$-producers.