計算化学に支援された反応工学的手法による熱活性化材料プロセスの解析 Analysis of several thermal activated material manufacturing processes using chemical reaction engineering methods aided by computational chemistry keisan kagaku ni shiensareta han'no kogakuteki shuho ni yoru netsu kasseika zairyo purosesu no kaiseki

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Other Title: Analysis of several thermal activated material manufacturing processes using chemical reaction engineering methods aided by computational chemistry

Other Title: keisan kagaku ni shiensareta han'no kogakuteki shuho ni yoru netsu kasseika zairyo purosesu no kaiseki

博士論文

制度:新 ; 文部省報告番号:甲1432号 ; 学位の種類:博士(工学) ; 授与年月日:2000-03-15 ; 早大学位記番号:新2950 ; 理工学図書館請求番号:2451

Contents / (0003.jp2)
Chapter1:Introduction1 / p1 (0009.jp2)
1.1 Backgrounds / p2 (0010.jp2)
1.2 Theory / p6 (0014.jp2)
1.3 Objectives of this research / p14 (0022.jp2)
1.4 Content of Chapters / p14 (0022.jp2)
1.5 References / p18 (0026.jp2)
Chapter2:Chemical Reaction Analysis for Silicon-TCVD and Related Reactions Aided by Computational Chemistry / p20 (0028.jp2)
Section2.1:Prediction of pressure dependent rate constant for the reaction,SiH₄(g)→SiH₃(g)+H(g),using RRKM theory aided by ab-initio MO / p21 (0029.jp2)
Section2.2:Prediction of Elementary Reaction Mechanism for the CVD Process in Si₂Cl₆-H₂ System using Semi-Empirical Molecular Orbital Method / p47 (0055.jp2)
Section2.3:Kinetics of SiHCl₃ and SiCl₄ Evolution in Si(s)-HCl(g)system by Ab-initio MO / p78 (0086.jp2)
Chapter3:Generation of Decomposition Behavior of Dioxins for Gas Phase in High temperature Process / p124 (0113.jp2)
Section3.1:Prediction for thermodynamic function of dioxins for gas phase using semi-empirical molecular orbital method with PM3 Hamiltonian / p125 (0114.jp2)
Section3.2:Gas phase equilibria for dibenzo-p-dioxin,dibenzo-p-dioxin,dibenzo-p-furane and biphenyl in the C-H-0 system / p156 (0145.jp2)
Section3.3:Thermodynamic investigation of the effect of oxygen and hydrogen chloride potential upon generation and decomposition behavior of dioxins / p175 (0164.jp2)
Chapter4:Conclusion / p202 (0191.jp2)
Acknowledgment / p212 (0201.jp2)
Contributions / p213 (0202.jp2)

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