publication >
Thesis
| No. | Year | English Title | Chinese Title | Authors | Link |
|---|---|---|---|---|---|
| 033 | 2017 | Rapid Determination of Absolute Entropy from Molecular Dynamic Simulations | 利用分子動力學模型快速決定系統的絕對熵值 | Min-Hsien Lin | HTML |
| 032 | 2017 | Exploring the Properties of Carbon Dioxide Hydrate in Pure Water and Seawater via Molecular Dynamics Simulation | 利用分子動力學模擬探討二氧化碳水合物在純水和海水中的性質 | Chun-Lin Huang | HTML |
| 031 | 2017 | Prediction of Solubility of Heavy Hydrocarbons in Methane for Liquefied Natural Gas Process | 預測液化天然氣程序中碳氫化合物在甲烷中的溶解度 | Yun-Jie Wei | HTML |
| 030 | 2016 | Mechanism for the Replacement of CH4 in Methane Hydrates with CO2 in the Solid Phase via Molecular Dynamics Simulation | 利用分子動力學模擬探討二氧化碳置換甲烷水合物的機制 | Hsuan Lo | HTML |
| 029 | 2016 | How Does Conformation Flexibility Influence the Fluid Phase Behavior: An Investigation from First Principles | 以第一原理計算探討分子構型對流體相行為的影響 | Chih-Wei Chang | HTML |
| 028 | 2015 | Influence of the Additive Tetrahydrofuran on the Growth and Nucleation of Methane Hydrate via Molecular Dynamics Simulations | 利用分子模擬探討添加劑四氫呋喃對甲烷水合物長晶與成核機制的影響 | Jyun-Yi Wu | HTML |
| 027 | 2015 | Exploring Self-Preservation in Methane Hydrate Dissociation via Molecular Dynamics Simulation | 以分子動力學模擬探討甲烷水合物之自我保護效應 | Hung-I Chao | HTML |
| 026 | 2015 | Prediction of Vapor-Liquid Equilibrium of Acid-Alcohol-Ester-Water Reactive Systems from First Principles Calculations | 第一原理計算酸醇酯水四成分具反應性系統汽液相平衡 | Ping-Chung Yu | HTML |
| 025 | 2015 | Theoretical Study on the Exciton Binding Energy from Density Functional Theory Methods | 運用密度泛函理論計算材料束縛能 | Jui-Che Lee | HTML |
| 024 | 2014 | A First-Principles Study on the Factors Influencing the Coplanarity of Bithiophene-based Molecules | 運用第一原理計算研究影響二噻吩類型分子共平面性之因素 | Yi-Hung Li | HTML |
| 023 | 2013 | Prediction of Phase Equilibria of Associating and Polymeric Systems | 耦合系統與高分子系統相平衡預測 | Chan-Chia Hsu | HTML |
| 022 | 2013 | The Effect of tert-Butanol on the Growth Mechanism of Gas Hydrates via Molecular Dynamics Simulations | 利用分子模擬探討異丁醇對氣體水合物生長機制之影響 | Pei-Wen Tsai | HTML |
| 021 | 2013 | Rapid Determination of entropy and free energy of complex fluids from Molecular Dynamic Simulation | 利用分子動力學模型快速計算複雜系統的熵與自由能 | Pin-Kuang Lai | HTML |
| 020 | 2012 | Band Engineering of Conducting Polymers via First Principle Calculations | 運用第一原理計算研究導電高分子之能隙工程 | Ying-Chieh Hung | HTML |
| 019 | 2012 | First Principle Analysis of the Polymer Memory Device Based on Donor-Acceptor Copolymers | 第一原理計算給體-受體高分子記憶元件的運作機制 | Ling-Chen Chan | HTML |
| 018 | 2012 | Theoretical Study on the Surface Modified TiO2:P3HT Hybrid Solar Cells | 染料改質二氧化鈦與有機半導體異質接面混摻太陽能電池的機制研究 | Yu-Shinan Tang | HTML |
| 017 | 2012 | The Effect of tert-Butanol on Growth Mechanism of Gas Hydrates via Molecular Dynamics Simulations | 利用分子模擬探討異丁醇對氣體水合物生長機制之影響 | Pei-Wen Tsai | |
| 016 | 2011 | Atomistic molecular dynamics simulations for the growth mechanism of methane and carbon dioxide hydrates and the replacement mechanism | 以分子動態模擬探討甲烷及二氧化碳氣體水合物結晶機制及二氧化碳置換甲烷機制 | Yen-Tien Tung | HTML |
| 015 | 2011 | First principles investigation of the SrTiO3 based water splitting photocatalysts | 利用第一原理計算研究鈦酸鍶水分解光觸媒 | Hsin-Chieh Chen | HTML |
| 014 | 2011 | A theoretical model for organic bulk-heterojunction solar cells | 有機混摻異質接面型太陽能電池的理論模型 | Nai-Yung Chang | HTML |
| 013 | 2011 | Absolute entropy and free energy of pure substances from molecular dynamics simulations using the two-phase thermodynamic model | 利用兩相熱力學模型與分子動力學模擬估算純物質之絕對熵與自由能 | Shao-Nung Huang | HTML |
| 012 | 2010 | First-principles predictions of thermodynamic properties and phase equilibria for pure and mixture fluids | 利用第一原理計算預測純物質與混合物之熱力學性質與相平衡 | Chieh-Ming Hsieh | HTML |
| 011 | 2010 | Aqueous electrolyte electrical double layer nanocapacitors via molecular dynamics simulations | 以分子動態模擬研究奈米水溶液電雙層電容器 | Kuo-Yuan Tseng | |
| 010 | 2009 | Prediction of drug solubility in mixture solvents based on first principle solvation calculations | 利用量子力學溶合計算預測藥物在混合溶劑中的溶解度 | Chun-Chieh Shu | HTML |
| 009 | 2009 | A theoretical model for conjugated polymer solar cells | 導電高分子太陽能電池的理論模型 | Po-Yu Tsai | HTML |
| 008 | 2009 | Prediction of thermodynamics properties of fully dissociated aqueous electrolyte solutions from a new activity coefficient model | 以Pitzer電解質溶液模型結合COSMO-SAC模型預測電解質溶液之熱力學性質 | Meng-Ting Hsieh | HTML |
| 007 | 2009 | Development of new equation of state by coordination number models | 以配位數模型建構新的流體狀態方程式 | Chan-Chia Hsu | HTML |
| 006 | 2008 | Early State Crystallization Process of Poly (Trimethylene Terephthalate) (PTT) Polymer from Atomistic Molecular Dynamics Simulations | 以分子動態模擬研究PTT(聚對苯二甲酸丙二脂)結晶初期行為 | Min-Kang Hsieh | |
| 005 | 2008 | A Numerical model of Direct Methanol Fuel Cell | 直接甲醇燃料電池的數值解模型 | Chao-Jung Li | |
| 004 | 2007 | Prediction of Mixture Vapor-Liquid Equilibrium from the Combined Use of Peng-Robinson Equation of State and COSMO-SAC Activity Coefficient Model | 以狀態方程式結合COSMO-SAC模型預測混合物之液氣相平衡 | Ming-Tsung Lee | |
| 003 | 2007 | Analytical model of direct methanol fuel cell | 直接甲醇燃料電池的解析解模型 | Chung-Min Lin | |
| 002 | 2007 | Computer Simulation for Prediction Capacitance of Electrical Double layer capacitor | 以分子動態模擬預測液態電容器之電容率 | Huang-Chu Ko | |
| 001 | 2006 | Atomistic Molecular Dynamics Simulations for the Morphology and Property Relationship of Poly (Trimethylene Terephthalate) fibers | 以電腦分子模擬探討PTT(聚對苯二甲酸丙二酯)纖維之結構與性質之關係 | Yen-Tien Tung |
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