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최상준,손종락,류삼곤 한국화학공학회 1989 Korean Chemical Engineering Research(HWAHAK KONGHA Vol.27 No.2
Y형 제올라이트를 높은 온도에서 SiCl₄, 수증기 및 EDTA로 처리하여 일련의 탈알미늄화된 제올라이트를 만들었다. SiCl₄로 탈알미늄화된 제올라이트는 수증기나 EDTA로 탈알미늄화된 것에 비하여 결정의 파괴없이 완전하였다. 그리고 탈알미늄화 제법에 관계없이 0-(Si, Al)-0 신축진동에 의한 적외선 흡수 밴드는 단위 세포당의 골격구조의 Al 원자수가 감소함에 따라 높은 파수쪽으로 이동하였다. 높은 파수(3640㎝^(-1))에 있는 수산기 밴드는 골격구조의 Si/Al비가 약5까지는 Si/Al비가 증가함에 따라 거의 선형적으로 저파수쪽으로 이동하였으나 Si/Al비가 5이상에는 변하지 아니하였다. 탈알미늄화됨에 따라 제올라이트의 net 정전기적 하전의 감소 때문에 수분을 흡수하는 능력이 감소하였다. A series of dealuminated Y-type zeolites was prepared by treating zeolites with SiCl₄, steam, and EDTA at elevated temperatures. Y-type zeolites can be dealuminated by reaction with SiCl₄ without collapse of the crystal structure as compared with the treatment of steam and EDTA. Regardless of preparation method, the infrared absorption bands in frequency of the stretching O-(Si, Al)-O vibrations shifted in a linear manner as number of framework Al atoms per unit cell. The high-frequency hydrouy band (3640 ㎝^(-1)) decreased in wavenumber almost linearly with an increasing Si/Al ratio of the zeolite, but beyond a ratio close to 5, the frequency remained virtually unchanged. Upon dealumination the ability of the zeolite to absorb water decreased due to the decrease of net electrostatic charge.
Pt(100)와 Fe(100) 고체 표면에서 CO₂화학흡착에 관한 분자궤도론적 연구
최상준,박상문 인제대학교 1995 仁濟論叢 Vol.11 No.1
Comparing the adsorption properties on a Pt(100) with a Fe(100) surface, We consider six types of binding site;di-σ(1), di- σ(2), 4-fold, μ2-site, 1-fold and 2-fold. On a Pt(100) surface, Calculated binding energies are 1.14 eV, 0.81 eV, 0.27 eV, 0.03 eV and 1,38 eV, respectively. On a Fe(100) surface, Calculated binding energies are 3.02 eV, 3.20 eV, 2.57 eV, 1.71 eV, 2.51 eV and 2.27 eV, respectively. CO2 adsorbs on a Pt(100) to form three distinct adsorbed species; Physisorbed molecular CO2 for μ2-site is linear type, Chemisorbed molecuar CO2 for di-σ(1), di- σ(2) and 4-fold are bent, and for 1-fold, 2-fold are normal to surface plane. Adsorbed species on a Fe(100) are bent for di-σ(1), di- σ(2), 4-fold and μ2-site, and normal to surface for 1-fold and 2-fold. Particularly, ∠OCO bending angle for μ2-site on a Fe(100) is 246˚. It is found that the binding site for adsorbing CO2 on a Fe(100) surface are stronger chemisortion than Pt(100) surface, and chemisorbed CO2 bends because of metal d mixing with the 2πu→6a1 CO2 orbitals.
崔相俊 慶北大學校 1989 論文集 Vol.47 No.-
The bubble coalescence in fame was observed by photographic pictures. The coalescence of rising bubbles in foam column was not adequately explained by the interbubble gas diffusion medel because of the residencei tme difference of bubble in the column. Internal coalescence furishes induced internal reflux, and the consistency of the results are improved by incorporating coalescence into the calculation of HTU.
Pt(111)와 Fe(111)고체 표면에서 CO₂흡착과 해리반응에 관한 이론적 연구 : Molecular Orbital Study
최상준 인제대학교 1998 仁濟論叢 Vol.14 No.2
Comparing the adsorption properties and dissociation on Pt(111) with Fe(111) surface. For the adsorption, we consider seven types of binding site ; di-σ(1), π, π/μ , 1-fold, 2-fold, and 3-fold sites. On a Pt(111) surface, calculated binding energies are 1.35ev for the di-σ (1), 1.70 eV for 1-fold, 0.93 eV for 2-fold, and 0.88 eV for 3-fold, respectively. For the sites of π, μ, and π/μ are close to physical adsorption. CO2 adsorbs on the Pt(111) surface to form thre distinct adsorbed types ; Physisorbed molecule CO2 for π, μ, and π/μ site is nearly close to linear type. Chemosorbed molecular CO2 for di-σ (1) are bent, and for 1-fold, 2-fold, 3-fold are for di-σ(1), π, μ, π/μ site, and normal to surface fur 1-fold, 2-fold and 3-fold. Particulary, ∠OCO bending angle for π-site is 244˚. It is found that binding site for adsorbing CO2 on Fe(111) surface are stronger chemisorption than Pt(111) surface, and chemisorbed CO2 bends because of metal mixing with 2πu-6a1, CO2 orbital. For the dissociation of CO2, the OCO angle of transition state are of the dissociation reaction of carbon dioxide same value which are 124˚ on Pt(111) and Fe (111) surface. The activation energies are 0.56 eV in Fe(111) surface. Then we have found that the dissociation reaction on Fe(111) surface will proceed easily with an activation energy of about 1.0 eV lower the dissociation on Pt(111) surface. We have found that the dissociation adsorbed species of CO2 to form CO(a) + O(a) on metals surface. We have found that adsorption sites of the dissociative adsorbed species of CO2 to form CO(a) + O(a) on the metals surface.
고체 표면에서 2성분 기체 혼합물의 물리적 흡착에 관한 연구(제2보)
최상준 인제대학교 1981 仁濟醫學 Vol.2 No.4
Significant Structure Theory를 Gibbs의 등온 흡착식에 적용하여 새로운 등온 흡착식을 유도하고 포화 탄화수소에 대한 분배함수를 구하여 유도된 등온 흡착식에 대입하여 이론값을 계산하였다. 계산된 이론값은 실험값과 좋은 일치를 보였다. The significant structure theory has been applied to physical adsorption of binary gas mixtures on heterogeneous solid surface. In order to derive the partition functions, it has been assumed that adsorbed phase is two-dimensional liquid and bulk phase is three dimensional gas. Spreading pressure of adsorbed phase has been obtained from the partition function. Ideal adsorption isotherm has been derided from Gibbs' adsorption isotherm equation. Comsidering two-dimensional Einstein solid model and two-dimensional gas-like model, the partition functions of adsorbed phase such as methane, ethane, propane and butane have been derived. The theoretical values are in comparatively good agreement with the experimental values in a tendency.
최상준 인제대학교 1985 仁濟論叢 Vol.1 No.1
To investigate the conformation of ATP and ATPi- the conformational total energies were calculated using an empirical potential function by varing all the Independent degree of freedom of them backbone. The empirical potential function was composed of electrostatic, polarization, nonbonding, torsion and hydrogen bond potential. For ATP and ATP- state, conformational total energies are -192.03 Kcal/mole and -176.20kca1/mo1e.