Solvation force in hard ellipsoid molecular liquids with rod-sphere and rod-surface interactions

Document Type : Original Article

Authors

Department of Physics, University of Yasouj, Yasouj, Iran

Abstract

In previous work, one of us calculated the Solvation force of hard ellipsoid fluid with hard Gaussian overlap potential using hard needle wall interaction and non-linear equation proposed by Grimson- Rickyazen. In present work, using density functional theory and extended restricted orientation model, the solvation force of hard ellipsoid fluid in presence of more realistic rod- sphere and rod- surface interactions are calculated. We investigate weak and strong molecule-surface coupling strengths. The colloids distance effects on density profiles are calculated. We could not find the exact or simulation results for comparison. The results in the case are compared with the Solvation force of hard Gaussian overlap fluid and hard needle- wall interaction. The results are corresponded, qualitatively.

Keywords

Main Subjects

Article Title [Persian]

نیروی حلالیت مایع مولکولی بیضی وار سخت با برهم کنش میله- کره و میله- سطح

Authors [Persian]

  • زهرا فیروزی
  • ابوالقاسم عوض پور

گروه فیزیک، دانشکده علوم پایه، دانشگاه یاسوج، یاسوج، ایران

Abstract [Persian]

در کار قبلی ، یکی از ما با استفاده از برهمکنش دیواره سخت- سوزن سخت و معادله غیرخطی پیشنهادی گریمسون- ریکیزن ، نیروی حلالیت مایع بیضی وار سخت با پتانسیل همپوشانی گاوسی سخت را محاسبه کرد. در کار حاضر، با استفاده از نظریه تابعی چگالی و مدل جهت دارتعمیم یافته، نیروی حلالیت مایع بیضی وار سخت در حضور برهم کنش های واقعی تر میله- کره و میله- سطح محاسبه می شود. ما قدرت جفت شدگی ضعیف و قوی مولکول- سطح را بررسی می کنیم. اثر فاصله کلوئیدها روی پروفایل های چگالی محاسبه می شود. ما نتوانستیم نتایج دقیق یا شبیه سازی مربوط به این برهم کنش ها را برای مقایسه پیدا کنیم. نتایج با نیروی حلالیت مایع همپوشان گائوسی سخت با برهمکنش سوزن سخت- دیواره سخت برای حالت k=3.0 مقایسه می شوند. نتایج از نظر کیفی مطابقت دارند.

Keywords [Persian]

  • نیروی حلالیت
  • کلوئیدها
  • مایع بیضی وار سخت
  • پتانسیل میله- کره
  • پتانسیل میله- سطح
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