材料的介電性質一直是科學上的重要研究課題，廣泛應用於學術、工業和食品等領域。透過精密的寬頻介電量測，我們可以更微觀地了解材料中的分子特性和相互作用，從而提升對材料的理解和應用。

本研究的成果已發表在 Journal of Molecular Liquids 的期刊中，探討了碳酸丙烯酯（PC）及其與甲醇和乙醇的二元混合物的介電性能和弛豫行為。我們利用同軸-圓波導管從 0.1 GHz 至 18 GHz 範圍內獲取了寬頻介電譜，並利用兩組 Debye 模型擷取了弛豫參數。透過這些分析，我們能夠觀察到不同混合濃度下的變化趨勢，並進一步呈現出超額熱力學性質參數、Kirkwood 取向相關因子和 Bruggeman 因子等。這些研究基於熱力學，使我們能夠更深入地分析分子內部的微觀過程，包括醇的氫鍵網絡的連續解離、PC 和醇之間的氫鍵網絡形成以及異質偶極子的平行排列。

為了更直觀地研究分子間的行為，我們進一步基於 TraPPE-UA 的力場，使用了分子動力學（MD）的理論計算。根據從 MD 模擬中提取的徑向分布函數和氫鍵生命期，我們觀察到，隨著 PC 濃度的增加，其混合物中會逐漸形成 PC 的籠狀和醇類的簇狀微結構。

綜合以上，我們認為本研究的數據量測以及所提出的物理概念具有重要的參考價值，特別是在高能量電池和製藥行業方面，具有潛在的應用價值。

The dielectric properties of materials have long been a significant research topic in science, with broad applications across academic, industrial, and food-related fields. Through precise broadband dielectric measurements, we can gain deeper insights into the molecular characteristics and interactions within materials, thus enhancing our understanding and applications of them.

This study investigates the dielectric performance and relaxation behavior of propylene carbonate (PC) and its binary mixtures with methanol and ethanol. The result of the work was also published in the Journal of Molecular Liquids. Using a coaxial-circular waveguide, we obtained broadband dielectric spectra ranging from 0.1 GHz to 18 GHz and extracted relaxation parameters using two sets of Debye models. Through these analyses, we observed trends in different mixing concentrations and presented excess thermodynamic parameters, Kirkwood correlation factors, and Bruggeman factors. These investigations, grounded in thermodynamics, allow for a more in-depth analysis of molecular processes, including the continuous dissociation of alcohol hydrogen-bond networks, the formation of new PC-alcohol hydrogen-bond networks, and the parallel alignment of heterogeneous dipoles.

To further understand molecular behavior, we employed molecular dynamics (MD) simulations based on the TraPPE-UA force field. We observed the gradual formation of PC cage-like structures and alcohol-cluster microstructures in PC-rich mixtures based on radial distribution functions, radial dipole-dipole spatial correlation, and hydrogen-bond lifetime extracted from MD simulations.

In summary, the data measurement and physical insights provided by this study are expected to be valuable references, particularly in high-energy battery applications and the pharmaceutical industry.

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