کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
4451502 1620578 2006 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Gradient theory of nucleation in polar fluids
موضوعات مرتبط
مهندسی و علوم پایه علوم زمین و سیارات علم هواشناسی
پیش نمایش صفحه اول مقاله
Gradient theory of nucleation in polar fluids
چکیده انگلیسی

Gradient theory (GT), a form of density functional theory (DFT), was applied to water, methanol, and ethanol using the cubic perturbed hard body (CPHB) equation of state (EOS). Compared to the standard form of classical nucleation theory (CNT), the GT results for water showed an improved temperature dependence, but the supersaturation dependence was slightly poorer. GT and several forms of CNT were also found to be in good agreement with a single high T molecular dynamics rate for TIP4P water. The rates predicted by GT for methanol and ethanol were improved by several orders of magnitude compared to CNT, but no improvement in the predicted temperature dependence of the rates was found.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Atmospheric Research - Volume 82, Issues 3–4, December 2006, Pages 481–488
نویسندگان
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