کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
6919622 863663 2016 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Calculation of the second term of the exact Green's function of the diffusion equation for diffusion-controlled chemical reactions
ترجمه فارسی عنوان
محاسبه دوره دوم دقیق عمل گرین از معادله انتشار برای واکنش های شیمیایی تحت کنترل انتشار
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
چکیده انگلیسی
The exact Green's function of the diffusion equation (GFDE) is often considered to be the gold standard for the simulation of partially diffusion-controlled reactions. As the GFDE with angular dependency is quite complex, the radial GFDE is more often used. Indeed, the exact GFDE is expressed as a Legendre expansion, the coefficients of which are given in terms of an integral comprising Bessel functions. This integral does not seem to have been evaluated analytically in existing literature. While the integral can be evaluated numerically, the Bessel functions make the integral oscillate and convergence is difficult to obtain. Therefore it would be of great interest to evaluate the integral analytically. The first term was evaluated previously, and was found to be equal to the radial GFDE. In this work, the second term of this expansion was evaluated. As this work has shown that the first two terms of the Legendre polynomial expansion can be calculated analytically, it raises the question of the possibility that an analytical solution exists for the other terms.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 198, January 2016, Pages 41-46
نویسندگان
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