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개인용 컴퓨터에 의한 이원분자의 Energy Spectrum 계산
고영표,김영미,김정홍 全北大學校 科學敎育硏究所 1991 과학과 과학교육 논문지 Vol.16 No.-
The ground-state energy spectra of the diatomic molecules (H2, HCℓ, I_2) have been calculated by using personal computer from the numerical solutions of Schro¨dinger equations with some potentials, and the results have been compared to the observed and the approximate values. The potentials used in this thesis are 1) Morse potential, 2) Kratzer potential, which are often used in chemistry. The purpose of this paper is 1) to calculate the ground-state energy levels and wave functions of diatomic molecules by using personal computer, 2) to understand the physical meanings of the Schro¨dinger equation easily and clearly, 3) to learn how to use personal computer for studying quantum mechanics. Transforming the second-order differential Schro¨dinger equation to a second-order dimensionless difference equation, such that Uj+1 = 2[l-(∈ω(Δz)^2)] Uj - Uj-1 taking the initial values of U_1, U_2, and varifying the energy parameter, we can readily obtain energy and wave function which are satisfying the each condition. It is found that, for the Morse and Kratzer potentials, our results are good agreement with those of the observed and the approximate values.
고영표,김정홍,장재선,이혜숙 全北大學校 科學敎育硏究所 1992 과학과 과학교육 논문지 Vol.17 No.-
Without using mathematically fastidius Schro¨dinger equation we calculated the energy levels, ionization energies and electron affinitis of multi-electron atoms up to Argon by means of the Bohr model and the concept of de Broglie matter waves. We supposed the attractive and repulsive potentials between the nucleus and electrons, and between both electrons to be the pure Coulomb potentials, and we calcuated the kinetic energies of electrons in terms of the de Broglie wavelength.
Efficeint IRMOF-16 based Pd catalyst for aerobic oxidation
고영표,이승이,( Md Abu Taher ),진명종 한국공업화학회 2016 한국공업화학회 연구논문 초록집 Vol.2016 No.1
금속 유기 구조체(Metal Organic Frameworks, MOFs)는 Metal cluster와 유기물 linker가 배위결합으로 연결되어 골격을 형성하고 있는 비교적 새로운 종류의 다공성 물질이다. 금속유기구조체는 제올라이트와 달리 유기물 linker를 분자 수준에서 용도에 맞추어 다양한 기능을 부여 할 수 있기 때문에 촉매, 가스저장 및 분리 등의 다양한 용도로 활용할 수 있는 가능성을 가지고 있는 소재이며, 불균일 촉매로서는 금속산화물 촉매의 담체로의 응용이 주목 받고 있다. 이번 연구에서는 p-xylene을 시작 물질로 하여 organic linker로 사용되는 dimethyl2`,5`-bis(azidomethyl)- [1,1`:4`,1``-terphenyl]-4,4``-dicarboxylate를 여러 단계를 통하여 합성한다. 이후 이를 linker로 사용하여 Zn(NO3)2 metal cluster 와 반응시켜 azide화된 IRMOF-16 를 제조하고 여러 단계의 반응을 거쳐 최종적으로 Pd/IRMOF-16 촉매를 제조한다. 이후 제조된 Pd/IRMOF-16을 불균일상 촉매로 활용하여 다양한 방향족 알코올들의 공기 중 산화반응을 진행하였다. GC(FID)를 통하여 반응의 진행을, <sup>1</sup>H-NMR, IR, XRD 등을 통하여 촉매의 특성을 분석하였다.
개인용 컴퓨터에 의한 Schro¨dinger 파동방정식의 해
고영표,김정홍 全北大學校 科學敎育硏究所 1991 과학과 과학교육 논문지 Vol.16 No.-
The numerical solutions of the Scho¨dinger euqations for the various potential in one and three dimensions have been obtained by personal computer, and compared to the analytic solutions. The potentials used in this paper is infinite square well potential, harmonic oscillator potential, coulomb potential and Lennard- Jones potential. The Purpose of this thesis is (1) to understand the physical meaning of the Schro¨dinger equation easily and clearly, (2) to find how to solve the Schro¨dinger equations with complicate potentials and (3) to show how to apply a computer in order to get a width of energy band or energy gap. To get the numerical solutions by computer, we have first converted the second-order differential Schro¨dinger euqation to a second-order dimensionless difference equation φj+1=2[1-(∈-Wj)(Δz)^2]φj-φj-1 For the infinite square well and harmonic oscillator potentials, our results are in quite good greenment with those of the analytic solutions within 0. 3%, and 2. % errors, respectively. We have applied the same method to the Hydrogen atom, and found that, our numerical solutions is in good agreement with the analytic solution within 2~4% and 1% errors for ℓ=0 and ℓ≠0, respectively Finally, our results for the Lennard Jones potential, which has been often used in chemistry are quite consistent with other result obtained by using the polynomial expansion metod.
솔 - 젤법에 의한 석영유리의 제조 2 . 초임계 건조 및 소결
임재곤,고영표,이건홍,이시우 ( Jae Gon Lim,Yung Pyo Koh,Kun Hong Lee,Shi Woo Rhee ) 한국화학공학회 1993 Korean Chemical Engineering Research(HWAHAK KONGHA Vol.31 No.1
Aerogels were manufactured by supercritical drying of the wet gel which was made using 2-step sonogel process and silica glass was obtained by sintering of these aerogels. Effect of the microstructure of aerogels on process variables was investigated. Ethanol was chosen as a supercritical drying solvent, and the operating condition was set to 300℃ and 1500 psi. Sintering was performed with isothermal stages at 150℃, 300℃, 400℃, 600℃, 900℃ and 1100℃, and gaseous atmosphere was changed from nitrogen(<300℃) to oxygen(300-600℃) and helium(>600℃). It took about 8 hours in supercritical drying, and 17 hours in sintering. Supercritical drying with ethanol made the surface of aerogels hydrophobic, resulting in minimum adsorption of water on the surface. Since reduction of particles occurred due to high temperature during supercritical drying, optimum supercritical drying temperature must exist. Long isothermal stage at 150℃ eliminated bloating of sintered sample. The volume of aerogels reduced slowly up to 1070℃, but the pores were closed suddenly at 1100℃. Incomplete supercritical drying and low gelation pH produced crystals in sintering. The structure of wet gel had strong effect on the sintering conditions.
솔 - 젤법에 의한 석영유리의 제조 1. 초음파를 이용한 젤의 제조
임재곤,고영표,이건홍,이시우 ( Jae Gon Lim,Yung Pyo Koh,Kun Hong Lee,Shi Woo Rhee ) 한국화학공학회 1992 Korean Chemical Engineering Research(HWAHAK KONGHA Vol.30 No.6
Gels were manufactured by the 2-step sol-gel process with ultrasonic wave mixing. The effects of process variables on the gelation time and the microstructure of gels were investigated. The optimum process conditions obtained were : solution of 1 mole TEOS and 10 mole H₂O, hydrolysis pH=2.7, condensation pH=4.7, ultrasonic energy=500 J/ml, ultrasonic mixing time of 10 minutes, and gelation time of 6 minutes. Cracks on the gels occured when the difference on pHs of hydrolysis and condensation steps was too large due to the localization of catalysts. Increase of the pH in condensation step decreased the gelation time, and less than 10 seconds of gelation time was observed above pH 5.4. The gelation time decreased up to 10 of H₂O/TEOS mole ratio, but it increased thereafter due to the dilution effect of water. The increase of ultrasonic energy reduced the size of particles and pores in the gel. Compared with normal gels, sonogels had smaller particles, smaller average pore size, and narrower pore size distribution. Since supercritical drying retains the microstructure of wet gels while evaporation drying significant changes the volume and microstructure of them, supercritically dried samples are recommended for observation of microstructures of wet gels.
Park, Jin-Ha,Ko, Young-Pyo 全北大學校 基礎科學硏究所 1988 基礎科學 Vol.11 No.1
The effects of acetone-water mixed solvents and of LiCl salt on the rate of the reaction of p-bromophenacyl bromide with p-toluidine were studied. The kinetic runs were followed by conductometric method and Guggenhein equation. As a result, the second-order rate constant of this reaction is higher than that of phenacyl bromide with identical p-toluidine, and increase with water at the same experimental conditions, which proved to be Menschutkin reaction. According to the values of enthalpy and entropy of activation, the rate constats depending on the concentration of p-toluidie, and Kivinen's estimate, it would be suggested to be SN^2 mechanism. Isokinetic temperature is 400 K above the experimental temperature, so this reaction is enthalpy controlled. Salt Effect of LiCl on the rate was examined. The second-order rate constant for the added by LiCl is slightly higher than those of the unadded.