• 作者： 牟中原
• 作者服務機構： 國立臺灣大學化學系
• 中文摘要： 我們考慮一個處理液態表面密度的理論，此理論是基於直接相關函數。在其展開式中我們考慮到三粒子直接相關函數，其效果是在自由能展開式中包含了三粒子項而可產凡得瓦圈之狀態方程式。此方法可以處理固液表面之潤濕現象及氣液表面。我們對三粒子直接相關函數提出一個近似法，該法則受壓縮關係之限制。最後，我們顯示此方法與現行之非局部密度函數法之間的關係。
• 英文摘要： We consider a theory of a fluid interfacial density profile based on the direct correlation function．The three-particle direct correlation function is considered in a density expansion of direct correlationfunctions; its effect is to include a three-particle term in the expansion of grand potential such that a Vander Waals loop can be obtained in the equation of states. One then can treat the problem of liquid-gascoexistence or wetting transitions on solid surfaces. We also propose a simple closure for the three-particledirect correlation function under the constraint satisfying exact sum rules － compressibility relations.Finally, we show the close relation of this closure to the current smoothed-density functional approach.
• 中文關鍵字： fluid surface; density-functional; direct correlation function; interfacial density profile
• 英文關鍵字： --