2011-01-012024-05-17https://scholars.lib.ntu.edu.tw/handle/123456789/681496摘要：天然氣水合物是一項新型態的天然氣資源，台灣自民國93 年開始，在經濟部中央地質調查所 的推動下，目前已完成西南海域天然氣水合物的的賦存潛力與分布範圍調查，證實該區域普遍有天 然氣水合物的賦存。然而為進行天然氣水合物的開採以及後續儲存及運送，皆必須先得知天然氣水 合物系統的熱力學性質。有鑑於此，本計畫之目的在於結合實驗、理論模型及分子模擬等方法，從 不同層面研究天然氣水合物之熱力學性質。在第一、二及第三年度，我們已建立國內天然氣水合物 熱力學研究的基礎，包括建構國內第一套可視性低溫高壓實驗設備（以及一套備品設備）與測量得 到八十多個相平衡數據、利用狀態方程式描述甲烷、乙烷、丙烷等雙成份氣體水合物三相平衡、以 及建立適合氣體水合物的分子模擬平台。在現有基礎上，我們將於天然氣水合物中加入添加劑(抑 制劑或促進劑)，以實驗方法了解不同添加劑對天然氣水合物相平衡的影響。此外，我們也將以理 論模型，探討添加劑對天然氣水合物相平衡的影響。在分子模擬計算方面，我們將著重於天然氣水 合物在有添加劑存在時之生成與融解等動力學機制的研究，藉此可以輔助解釋實驗結果並驗證理論 模型。本年度的工作，將可提供台灣西南海域天然氣水合物探採、開發與儲運等模擬分析或工程設 計上的參考依據。<br> Abstract: Gas hydrate is a new resource for natural gas. Since year 2004 Taiwan started identifying and quantifying the occurrences of methane hydrate in the Southwestern sea of Taiwan. However, for methane hydrate recovery and the subsequent storage and transportation, it is necessary to have a good understanding of the thermodynamic properties of gas hydrate. In this project, we propose to study the thermodynamic properties of gas hydrate via experiment, theoretical modeling, and molecular simulations. In the past three years of this 4-year project, we have established Taiwan`s first visible cell for high-pressure and low temperature experiments of gas hydrate systems from which more than 80 phase equilibrium data points have been measured, an equation of state-based model suitable for correlating experimental data, and a platform for performing molecular dynamic simulations on gas hydrate. Based on this foundation, we propose to measure the change of phase behavior in gas hydrate system when different additives (promoter and inhibitor) are added. In addition, we will use the equation of state model to predict the effect of additives (promoter or inhibitor) on the phase behavior of gas hydrate systems. Experimental and theoretical work will benefit from a thorough understanding of gas hydrate formation and melting mechanism from molecular dynamic simulations. These efforts serve as an important basis for the design and optimization of processes for the recovery, storage, and transportation of methane hydrate.天然氣水合物熱力學分子模擬狀態方程式液固相平衡hydratethermodynamicsmolecular simulationequation of statesolid-liquid equilibria