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Theoretical Investigation for the Molecular Structure and Binding Energies of C6H6+-(H2O)n (n=1-5) Complexes (벤젠양이온-물 복합체[C6H6+-(H2O)n (n=1-5)]의 결합 에너지 및 분자 구조에 관한 이론적 연구)

  • Kim, Si-Jo;Kim, Seung-Joon
    • Journal of the Korean Chemical Society
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    • v.54 no.6
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    • pp.671-679
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    • 2010
  • The geometrical parameters and binding energies of the benzene ion-water complex [$C_6H_6^+-(H_2O)_n$(n=1-5)] have been investigated using ab initio (MP2) and density functional theory (DFT) with large basis sets. The harmonic vibrational frequencies and IR intensities are also determined to confirm that all the optimized geometries are true minima. Also zero-point vibrational energies have been considered to predict the binding energies. The predicted binding energy of 8.6 kcal/mol for $C_6H_6^+-(H_2O)$ at the MP2/aug-cc-pVTZ level of theory is in excellent agreement with recent experimental result of $8.5{\pm}1$ kcal/mol.

철도의 환경 친화성 분석에 대한 연구;대기오염물질 배출량 및 에너지 소비율 중심으로

  • Kim, Hui-Man
    • Proceedings of the Korean Environmental Sciences Society Conference
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    • 2006.11a
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    • pp.34-39
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    • 2006
  • 1. 철도, 도로, 항공, 해운 등 교통수단별 현황을 조사한 결과, 현재까지의 교통정책이 도로교통 우선 위주였기 때문에 철도는 뛰어난 환경성 및 경제성을 가지고 있음에도 불구하고 수송분담율이 비교적 저조한 편이었다. 그러나, 향후 정부의 사회기반시설 구축에 있어서 국가 기간 철도망 확대와 대도시 지하철 및 경량전철 건설을 통한 도심철도망과 간선철도망의 연결 등을 통하여 철도의 이용이 훨씬 용이해질 것으로 보이며 이에 따라 철도의 이용률도 크게 상승할 것으로 예상된다. 2. 교통수단별 일반현황은 다음과 같다. 1) 철도교통은 여객수송량이 다소 증가하고 있는 추세였는데, 2004년 KTX의 개통으로 인하여 여객수송량이 급증하였으나, 화물수송은 약간 감소하는 추세이다. 2) 도로교통은 공로의 경우 이용량이 크게 감소하고 있으나, 자가용의 경우에는 승용차의 급증에 의하여 도로의 분담률이 증가하고 있다. 그러나, 도로망의 확충이 자동차의 증가량을 따르지 못하는 것과 자동차가 도시에 밀집됨에 따른 교통체증에 따라 자가용 차량의 1일 평균 주행거리가 짧아지는 등 수송량이 크게 증가하지는 않고 있다. 3. 각 교통수단별 환경경제성을 조사한 결과는 다음과 같았다. 1) 단위수송량당 에너지 소비율은 여객의 경우 철도가 75.97kcal/인 km에 불과한 반면에 버스는 415.43, 택시는 1,192.24kcal/인 km에 달하여 각각 철도의 5.5배 및 15.7배나 많은 에너지를 소비하는 것으로 나타났다. 화물의 경우에도 철도는 105.98kcal/톤 km에 불과한 반면에 도로는 1,674.21kcal/톤 km에 달하여 철도의 무려 15.8배의 에너지를 사용하는 것으로 나타나, 철도가 에너지 효율성 면에서 도로 교통수단보다 월등히 앞서는 친환경적이면서 경제적인 교통수단임을 알 수 있다. 2) 도로와 철도의 단위수송량 당 CO의 배출량은 도로가 1,531.2kg/백만인 km로 철도의 167.4kg/백만인 km에 비하여 9배나 되었다. 그러나, 탄화수소의 경우는 도로가 216.5kg/백만인 km으로 철도의 68.0kg/백만인 km의 3배를 넘는다. 미세먼지의 경우는 도로가 철도보다 약간 더 많은 수준이었으나, NOx와 $SO_2$는 오히려 철도가 오히려 약간 더 높게 나타났다.

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Performance and Emission Characteristics of GHP Engine at Different Natural Gas Heating Value (천연가스 열량 변화에 따른 GHP 엔진의 성능 및 배출가스 특성)

  • Lee, Joongseong;You, Hyunseok;Choi, Jeonghwan;Choi, Euikwang;Lee, Kyungho;Lee, Byungdae
    • Journal of the Korean Institute of Gas
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    • v.19 no.1
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    • pp.1-5
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    • 2015
  • In general, natural gas is used as GHP(Gas Engine Driven Heat Pump) fuel. On this study, the influences of different natural gas heating value on GHP were evaluated. As a result of engine test & field test using low heating value gas($9,800kcal/Nm^3$) as fuel, the engine power was reduced slightly, however the performance of start-up, the stability of operation and the characteristics of emission gas were almost similar. So it is considered that the normal operation of GHP is possible without any tuning when the low heating value($9,800kcal/Nm^3$) of natural gas was used as fuel.

Analysis of Foods and Nutrients Intake Obtained at the Final Probing Step in 24-hour Recall Method (24시간 회상법을 사용한 한국 성인의 식이섭취조사에서 재회상 단계 추가의 영향 분석)

  • Kang, He-Ra;Jung, Hyun-Ju;Paik, Hee-Young
    • Journal of Nutrition and Health
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    • v.42 no.2
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    • pp.158-170
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    • 2009
  • This study was conducted to examine the usefulness of adding final probing step (step3) in dietary assessment by 24-hour recall method among Korean adults. One-hundred fifty five adults (37 males and 118 females) above 30 years of age who visited hospitals for health examination were recruited at three hospitals in Korea. One day dietary intake was obtained using 24-hour recall method from each subject. Dietary interview was conducted in 3 steps, (1) quick list of foods eaten during the previous day, (2) detailed information of all the foods eaten, (3) the final probing for any items forgotten. Items added at the step3 were identified and contributions of energy and nutrient intakes were calculated. The average duration of interview was 10.5 min, and time spent for each step was 4.12 minute for step 1, 5.62 minute for step 2, and 38 second for step 3. The average number of dishes reported by the subjects added at the step 3 was 2.2. (Males = 2.6, Females = 1.6) Frequently reported dishes in the step 3 were Beverage, Tea, alcohol (37.1%) and Fruits (31.8%). From mean total energy intake of 1,589 kcal (Men = 1,846 kcal, Women = 1,509 kcal), 179 kcal (11.3%) was added at the step 3. In the step 3, nutrient intakes increased significantly except retinol in total subjects and except retinol and cholesterol in males but all nutrients increased significantly in females. The final probing step can add significant information on intakes of foods and many nutrients with only about 38 seconds of interview time. Confirmation of the results with larger samples of different age groups is needed.

Characteristics of Carbonization Residue from Cow and Chicken Manure (우분과 계분에 대한 탄화물의 에너지 특성)

  • Lee, Min-Seok;Kim, Jae-Kyung;Rhee, Seung-Whee
    • Resources Recycling
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    • v.23 no.5
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    • pp.28-35
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    • 2014
  • The basic properties of cow and chicken manure such as proximate analysis and element analysis were estimated and the comparison to energy characteristics of carbonization residue between cow and chicken manure was evaluated. The optimum carbonization condition of cow and chicken manure was decided by total heating value of carbonization residue which was expressed by multiplying low heating value by yield. The optimum carbonization conditions for carbonization time and temperature can be decided by 15 min, and $350^{\circ}C$ for chicken manure, and 20 min, and $300^{\circ}C$ for cow manure. At the optimum carbonization conditions, low heating values for the carbonization residue of cow and chicken manure are evaluated by 4,378kcal/kg, and 3,462kcal/kg, respectively. The residues of cow manure were satisfied with the standard of solid fuel product. However, the residue of chicken should be improved by materials changes to be used as a renewable energy source.

Food Preferences and Nutrient Density of Wedding Reception Food Consumed by the Community Residents in the Chungbuk Area

  • Kim, Myoung-Sook;Kim, Ki-Nam
    • Journal of Community Nutrition
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    • v.8 no.4
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    • pp.200-206
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    • 2006
  • A survey was conducted to investigate the preferences of wedding reception food, food consumption and its nutrient density, and the factors that influence nutrient density, in order to obtain baseline data for the development of an educational program on dining out. Subjects included 105 male and female adults who attended a wedding ceremony and consumed wedding reception food in the Chungbuk area between August and September 2004 and interviewed using a questionnaire. 63.0% of the subjects responded that they over-ate at the reception. 20.5% reported that they skipped the meal before the reception. The respondents who skipped the meal had more calorie intakes (899kcal) than those who did not (800kcal). In food preferences, noodles (51.0%), watermelon (47.0%), rice cake (39.0%), sweet and sour pork (38.0%), potato noodles stir-fried with vegetables (37.0%), beef rib soup with cooked rice (37.0%), bulgogi (35.0%), braised beef ribs (35.0%), fried shrimp (32.0%) were higher percentages in order. People preferred grain, meat and fatty food to vegetables. Total calorie intake from the reception foods were 881 kcal for males, and 769kcal for females. In evaluation of nutrient density, the density of calcium, vitamin A, vitamin C and dietary fiber did not meet the standard of the recommended intake. Especially, vitamin C and dietary fiber were less than 50% of the recommended level. The main factors that influence the nutrient density were household incomes, occupations, marital status, and total fat consumed. In conclusion, an educational program should be developed and offered to improve their dietary quality.

The Measurements of the Resting Metabolic Rate (RMR) and the Accuracy of RMR Predictive Equations for Korean Farmers (농업인의 휴식대사량 측정 및 휴식대사량 예측공식의 정확도 평가)

  • Son, Hee-Ryoung;Yeon, Seo-Eun;Choi, Jung-Sook;Kim, Eun-Kyung
    • Korean Journal of Community Nutrition
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    • v.19 no.6
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    • pp.568-580
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    • 2014
  • Objectives: The purpose of this study was to measure the resting metabolic rate (RMR) and to assess the accuracy of RMR predictive equations for Korean farmers. Methods: Subjects were 161 healthy Korean farmers (50 males, 111 females) in Gangwon-area. The RMR was measured by indirect calorimetry for 20 minutes following a 12-hour overnight fasting. Selected predictive equations were Harris-Benedict, Mifflin, Liu, KDRI, Cunningham (1980, 1991), Owen-W, F, FAO/WHO/UNU-W, WH, Schofield-W, WH, Henry-W, WH. The accuracy of the equations was evaluated on the basis of bias, RMSPE, accurate prediction and Bland-Altman plot. Further, new RMR predictive equations for the subjects were developed by multiple regression analysis using the variables highly related to RMR. Results: The mean of the measured RMR was 1703 kcal/day in males and 1343 kcal/day in females. The Cunningham (1980) equation was the closest to measured RMR than others in males and in females (males Bias -0.47%, RMSPE 110 kcal/day, accurate prediction 80%, females Bias 1.4%, RMSPE 63 kcal/day, accurate prediction 81%). Body weight, BMI, circumferences of waist and hip, fat mass and FFM were significantly correlated with measured RMR. Thus, derived prediction equation as follow : males RMR = 447.5 + 17.4 Wt, females RMR = 684.5 - 3.5 Ht + 11.8 Wt + 12.4 FFM. Conclusions: This study showed that Cunningham (1980) equation was the most accurate to predict RMR of the subjects. Thus, Cunningham (1980) equation could be used to predict RMR of Korean farmers studied in this study. Future studies including larger subjects should be carried out to develop RMR predictive equations for Korean farmers.

The study of the Composition and Physico-chemcal Characteristics of MSW in urban and gangwon area (수도권 및 강원지역 도시고형폐기물의 조성과 물리·화학적 특성연구)

  • Lee, Keon-Joo
    • Journal of the Korea Organic Resources Recycling Association
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    • v.16 no.3
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    • pp.65-74
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    • 2008
  • In this study, the composition and physico-chemical characteristics of municipal solid waste (MWS) which was treated in four different area were investigated. It is necessary to measure the characteristics of MSW to build a waste treatment and Refuse Derived Fuel (RDF) facility, the data-base and total managing of the landfill. It was found that the average density of solid wastes is in the range of $78.15-199.8kg/m^3$. This MSW was composed of 8.87% of food wastes, 38.8% of papers, 34.12% of plastics & vinyls, 7.16% of textiles, 0.96% of wood, 1.3% of rubber & leathers and others, respectively. Most of MSW are composed of food, paper and plastic waste and more than 94% was combustible waste. For three components, moisture is 17.38%, combustible component is 69.03% and ash is 6.24%. The chemical element has the high order of carbon, oxygen, hydrogen on the dry basis of wastes. And the low heating value of the MSW which is measured by calorimeter is calculated as 2973.8 kcal/kg and high heating value of the MSW is calculated as 5209.94 kcal/kg.

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Quality Assessment by MSW Type for High-quality and Low-pollution RDF (고품질·저오염 RDF 생산을 위한 생활폐기물 성분평가)

  • Ham, Kwang-Joon;Oh, Geun-Chan;Park, Young-Han;Kim, Min-Su;Kim, Joon-Hyun
    • Journal of Environmental Impact Assessment
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    • v.18 no.6
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    • pp.453-460
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    • 2009
  • In order to provide fundamental data for developing high-grade(high-quality and low-pollution) Refuse Derived Fuel(RDF), we analyzed caloric value and HCl content by Municipal Solid Waste(MSW) type. The caloric value was analyzed using calorimeter and HCl content was analyzed using mercury(II) thiocyanate method. In case of paper type the caloric value was 3,060~3,608kcal/kg and the HCl content was 239~6,135ppm. In case of vinyl-plastics the caloric value was 5,946~9,888kcal/kg and the HCl content was 429~455,771ppm. According to the result of quality assessment by MSW type, the calroric value of vinyl-plastics type was showed higher than that of paper type and in case of HCl content the paper type was showed lower than vinyl-plastics type. So, We mixed paper and plastic wastes. The caloric value of mixed MSW(paper and plastics) was 5,046~9,125kcal/kg and the HCl content was 239~6,135ppm. Also, The caloric value of packaging waste(film-plastics) was 5,982~8,045kcal/kg. Therefore It is possible to develop high-grade Refuse Derived Fuel through suitable mixing of paper and plastic in municipal solid waste.

Carotenoid Destruction and Nonenzymatic Browning during Red Pepper Drying as functions of Average Moisture Content and Temperature (고추 건조과정에 있어서 평균 수분함량 및 온도에 따른 Carotenoid파괴 및 비효소적 갈변)

  • Lee, Dong-Sun;Kim, Hyun-Ku
    • Korean Journal of Food Science and Technology
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    • v.21 no.3
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    • pp.425-429
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    • 1989
  • Functional relationships of carotenoid destruction and nonenzymatic browning during red pepper drying were established by the dynamic test using the moisture-temperature-quality history curve in actual drying experiments. The dependence of the rate constants on temperature and moisture content was established and analysed assuming that carotenoid destruction and nonenzymatic browning are the first order and the zero order reaction, respectively. Carotenoid destruction rate constant was high at high moisture and high temperature, and had a minimum value at some intermediate moisture content. As dependence of rate constant on temperature, activation energy of carotenoid decolorization ranged from 7.7 to 27.4 kcal/mol, showing higher value at higher moisture content. Nonenzymatic browning showed higher rate at higher temperature and higher moisture content. Activation energy of browning was in the range of 7.5-20.2 kcal/mol with higher value at higher moisture level.

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