• 의료ㆍ복지 건축 : 한국의료복지건축학회 논문집
• /
• 제7권1호
• /
• pp.33-44
• /
• 2001

This study is about the Spatial Composition and Area Calculation in Plastic Surgical Clinics. 1. The space of the plastic surgical clinics are divided into 4 sections; exam, exam support, the staffs, and waiting and reception area. 2. The average G/N ratio of width was 1.46. The Plastic surgical clinics which had great deviation in the ratio showed these characteristics; first, when they were planned at first, the operation rooms were not assigned enough space; second. space for supporting exam and the activities of staffs was given too little consideration in their first drafts. 3. The average size of operation rooms was $21.76m^2$. The most desirable size was found to be $26.4m^2$ when we put the number of staffs, the movement area of stretcher, and the movement lines of operation room into consideration.

• Bulletin of the Korean Chemical Society
• /
• 제31권9호
• /
• pp.2588-2592
• /
• 2010

The potential energy surfaces (PESs) for the primary and secondary dissociations of the phenylarsane molecular ion (1a) were determined from the quantum chemical calculations using the G3(MP2)//B3LYP method. Several pathways for the loss of $H{\cdot}$ were determined and occurred though rearrangements as well as through direct bond cleavages. The kinetic analysis based on the PES for the primary dissociation showed that the loss of $H_2$ was more favored than the loss of $H{\cdot}$, but the $H{\cdot}$. loss competed with the $H_2$ loss at high energies. The bicyclic isomer, 7-arsa-norcaradiene radical cation, was formed through the 1,2 shift of an $\alpha$-H of 1a and played an important role as an intermediate for the further rearrangements in the loss of $H{\cdot}$ and the losses of $As{\cdot}$ and AsH. The reaction pathways for the formation of the major products in the secondary dissociations of $[M-H]^+$ and $[M-H_2]^{+\cdot}$. were examined. The theoretical prediction explained the previous experimental results for the dissociation at high energies but not the dissociation at low energies.

• 한국토양비료학회지
• /
• 제39권5호
• /
• pp.274-279
• /
• 2006

FAO에서는 세계의 증발산량을 동일한 방식으로 산정하기 위해 다양한 형태의 모형들을 소개하고 각국이 적용하도록 권고해왔으며 최근에는 Penman-Monteith(PM) 모형을 증발산 산정에 이용하도록 하고 있다. 따라서, 본 연구에서는 다양한 기상요소와 작물 생장을 고려해 시간별 또는 일별로 증발산량의 정량화가 가능한 FAO PM 모형의 증발산량 계산에 이용되고 있는 다양한 기상요소들을 평가하고자 하였다. 측정 장비를 통해 얻어진 순복사량과 지중열류량, 수증기압, 풍속, 기온 등의 기상요소를 PM 모형계산식 (2)부터 (9)까지의 과정에 적용해 보았다. 초지에서 측정한 알베도의 평균값은 0.20이고 최대는 0.23, 최소는 0.12를 나타내 평균값은 FAO PM에서 잔디의 반사율인 0.23보다 다소 낮은 값을 보였다. 측정 알베도에 의한 순복사량과 잔디의 알베도(0.23)를 이용한 순 복사량을 비교해보면 결정계수는 0.97과 0.95, 표준오차는 0.74와 0.80이었으나 예측 값은 실제 값에 직선의 상관을 이루며 회귀식의 유의성이 인정되었다. 지중열류량의 FAO PM에서의 영향정도를 판단하기 위해 지중 5cm 깊이에서 측정한 지중열류($G_{5cm}$)와 지표면 보정식에 의해 보정된 지중열류량($G_{0cm}$)을 지중열류량이 0일 때의 (G=0) RET 값과 비교하연 G=0일 때의 RET는 $G_{5cm}$에서의 RET보다 3-5 mm 범위에서 약간 크게 예측하고, $G_{0cm}$에서의 RET 보다는 5mm 이상에서 약간 작게 예측하나 두 경우 모두 거의 일치하는 경향이었다. 측정된 순복사와 $G_{0cm}$에 의한 RET를 지중열류량을 모두 0으로 했을 때 측정 순복사에 의해 얻어진 RET(I), 측정된 에 의해 예측된 순복사로 계산한 RET(II), ${\alpha}=0.23$을 대입하여 구한 순복사로 계산한 RET(III)와 비교했을 때 I, II, III의 결정계수와 표준오차 및 p값은 측정 순복사량과 $G_{0cm}$에 의한 RET를 비교적 잘 설명하고 있으나, II와 III처럼 알베도 값과 일사량 및 식 (3)~(9)를 이용해 얻어진 순복사량을 이용해 RET를 계산할 때는 Table1에 나타나 있는 회귀식을 이용해 이를 보정해주어야 RET 계산의 오차를 줄일 수 있을 것이다. 이상의 결과를 종합하면 FAO PM 모형에 이용되는 기상요소들을 측정할 수 없을 때는 지표면 복사율을 나타내는 지중열류 값은 0으로 산정하고 순복사량 예측 값과 잔디의 지표면 반사율 또는 알려진 작물의 반사율을 이용해 RET를 계산하는 것이 가능할 것이다.

• Journal of Advanced Marine Engineering and Technology
• /
• 제5권1호
• /
• pp.28-33
• /
• 1981

The characteristics of typical 35 kinds of domestic anthracites among 155 kinds are studied to find the calculation formula for the required quantity of air and the combustion gas quantity. 1) The author's calculation formulae are as follows: ${A_0}={\frac{1, 000}{1, 064}}{H_1}+0.086(Nm^3/kg)$ ${G_0}={\frac{1, 000}{1, 110}}{H_1}+0.234(Nm^3/kg)$(1) Theoretically required quantity of air (2) Theoretical quantity of combustion gas 2) Theoretical quantity of air in combustion of domestic anthracite is always estimated more with Rosin's formula than author's one in the typical domestic anthracites which have the lower calorific value between 3, 000-8, 000 Kcal/kg and the difference of the calculated quantity of air becomes small, as the calorific value increases. 3) Theoretical quantity of combustion gas is estimated more by author's formula than by Rosin's one with the domestic anthracites which have more calorific value than 6, 700 Kcal/kg and is estimated less in the under range of the above calorific value. 4) Theoretical quantity of required air and quantity of combustion gas of domestic anthracite show ${\pm}$4% difference by Rosin's formulae in comparison with results of actual analysis, and about ${\pm}$1.5% by the author's one.

• 대한화학회지
• /
• 제53권6호
• /
• pp.640-652
• /
• 2009

캘릭스[n]아렌 (1-4)의 다양한 이형체들에 대한 구조들이 DFT B3LYP/6-31+G(d,p) 와 mPW1PW91/ 6-31+G(d,p) (hybrid HF-DF) 계산 방법들에 의하여 최적화 되었다. 모든 캘릭스[n]아렌 (1-4)의 다양한 이형체들 중에서, 수소결합들의 영향으로, cone 이형체가 가장 안정하였다. 그러나, 이형체들의 상대적인 안정성은 다음과 같이 서로 달랐다. 1. t-부틸캘릭스[4]아렌(1): cone > partial-cone > 1,2-alternate > 1,3-alternate. 2. t-부틸캘릭스[5]아렌(2): cone > 1,2-alternate > partial-cone > 1,3-alternate. 3. 탈부틸화된 캘릭스[6]아렌(3): cone(pinched) > partial-cone > cone(winged) ~ 1,2-alternate - 1,2,3-alternate > 1,4-alternate > 1,3-alternate > 1,3,5-alternate. 4. t-부틸캘릭스[6]아렌(4): cone(pinched) > 1,2-alternate > cone(winged) > 1,4-alternate - partial-cone > 1,2,3-alternate > 1,3,5-alternate > 1,3-alternate. 분자 내부의 수소결합의 개수와 강도들이 캘릭스[n]아렌의 다양한 이형체들의 상대적인 안정성에 가장 영향을 많이 미치는 인자들이었다. 두 가지 서로 다른 계산방법들 (B3LYP과 mPW1PW91)에 대한 여러 가지 이형체들에서의 수소결합 길이들이 비교되었다.

• Bulletin of the Korean Chemical Society
• /
• 제22권6호
• /
• pp.605-610
• /
• 2001

The molecular geometries and harmonic vibrational frequencies of dibenzofuran in the ground and lowest triplet state have been calculated using the Hartree-Fock and Becke-3-Lee-Yang-Parr(B3LYP)density functional methods with the 6-31G basis set. Upon the excitation to the lowest triplet state, the molecular structure retains the planar form but distorts from a benzene-like to a quinone-like form in skeleton. Scaled vibrational frequencies for the ground and lowest triplet state obtained from the B3LYP calculation show excellent agreement with the available experimental data. A few vibrational fundamentals for both states are newly assigned based on the B3LYP results.

• 한국환경과학회지
• /
• 제13권1호
• /
• pp.37-40
• /
• 2004

In this study, the decomposition of gas-phase TCE, Benzene and Toluene, in air streams by direct UV Photolysis and UV/TiO$_2$ process was studied. For direct UV Photolysis, by regressing with computer calculation to the experimental results the value of reaction rate constant k of TCE, Toluene and Benzene in this work were determined to be 0.00392s$\^$-l/, 0.00230s$\^$-1/ and 0.00126s$\^$-1/, respectively. And the adsorption constant K of TCE, Toluene and Benzene in this work were determined to be 0.0519 mol$\^$-l/ ,0.0313mo1$\^$-1/ and 0.0084mo1$\^$-1/, respectively. For UV/TiO$_2$ system by regressing with computer calculation to the experimental results the value of reaction rate constant k of TCE, Toluene, and Benzene in this work were determined to be 5.74g/$\ell$$.$min, 3.85g/$\ell$$.$min, and 1.18g/$\ell$$.$min, respectively. And the catalyst adsorption constant K of TCE, Toluene, and Benzene in this work were determined to be 0.0005㎥/mg, 0.0043㎥/mg and 0.0048㎥/mg, respectively.

• Bulletin of the Korean Chemical Society
• /
• 제25권4호
• /
• pp.553-556
• /
• 2004

In this study we have performed ab initio computer simulations to investigate the conformational characteristics of the tetraethyl (1) and triethyl ester (2) of p-tert-butylcalix[4]arene. The structures of different conformational isomers for each compound have been optimized using ab initio RHF/6-31G methods. After optimization, B3LYP/6-31+G(d,p) single point calculations of the final structures are done to include the effect of electron correlation and the basis set with diffuse function and polarization function. Relative stability of tetraethyl ester (1) of p-tert-butylcalix[4]arene is in following order: cone (most stable) > partial cone > 1,3- alternate > 1,2-alternate isomer. Relative stability of triethyl ester (2) of p-tert-butylcalix[4]arene is in following order: cone (most stable) > 2-partial cone > 1-partial cone > 3-partial cone ~ 1,3-alternate ~ 1,2- alternate isomer.

• 대한화학회지
• /
• 제53권5호
• /
• pp.521-529
• /
• 2009

1,3-디메톡시-티아캘릭스[4]크라운-5-에테르 (3)의 다양한 이형체들(cone_oo, cone_oi, pc_oo, pc_io, pc_oi, pc_ii, 13a_oo, 13a_io)에 대한 구조들이 DFT B3LYP/6 - 31 + G(d,p)와 mPW1PW91/6 - 31 + G (d,p) (hybrid HF-DF) 계산 방법들에 의하여 최적화 되었다. 13a_oo (1,3-alternate 이형체에서 두 개의 메 톡시기가 모두 밖으로 향해 있는 구조)가 가장 안정하였으며, 기존에 보고된 실험 결과와 잘 일치하였다. mPW1PW91/6 - 31 + G(d,p) 계산에 의한 상대적인 안정성은 다음과 같았다: 13a_oo (가장 안정) > 13a_io$\sim$ pc_io$\sim$cone_oo > cone_oi$\sim$pc_oo$\sim$pc_oi > pc_ii.

• Bulletin of the Korean Chemical Society
• /
• 제24권6호
• /
• pp.792-796
• /
• 2003

Polychlorinated dibenzo-p-dioxins (PCDDs) are extremely toxic and persistent environmental pollutants. Their chemical reactivities and other physicochemical/biological properties show a strong dependence on the chlorination pattern. With increasing the number of chlorines, dioxin congeners become more electronegative and gain higher electron affinities. The vertical electron affinities (VEA) are related with the LUMO energies of neutral molecules. LUMO energies of all PCDD congeners were calculated at the B3LYP/6-31G** level and those of some selected congeners at the level of B3LYP/6-311G**//B3LYP/6-31G** and B3LYP/cc-pvtz/ /B3LYP/6-31G**. The total energies of neutral and anionic species for dibenzo-p-dioxins (DD), 1469-TCDD, 2378-TCDD, and OCDD were calculated at the level of B3LYP/6-31G**, B3LYP/aug-cc-pvdz, and B3LYP/ aug-cc-pvtz//B3LYP/6-31G**. By using the four congeners with D2h symmetry as reference molecules, we could estimate VEA (B3LYP/aug-cc-pvdz) of 75 PCDD congeners based on the linear correlations between LUMO energy and VEA (B3LYP/6-31G**) and between VEA (B3LYP/6-31G**) and VEA (B3LYP/aug-ccpvtz// B3LYP/6-31G**). Results show that all PCDDs with the number of Cl ≥ 3 have positive electron affinities. The PCDD electron affinity values provided in this work can be a useful data set in understanding the congener-specific reactivities of dioxins in various environmental media.