N. M. Barbin, L. V. Yakupova, D. I. Terent’ev, V. T. Kuanyshev, A. I. Burumbaev, D. I. Burumbaev
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引用次数: 0
Abstract
Using the method of computer thermodynamic modeling, the stability of higher fullerene C90 heated in a nitrogen atmosphere at a pressure of 0.1 MPa is studied. The simulation is performed using the TERRA software package in the temperature range from 273 K to 3373 K. The equilibrium composition of compounds in the C90–N2 system is obtained and the physico-chemical processes causing the formation of these compounds are described. The equilibrium constants of the processes forming the equilibrium composition of compounds are calculated for different temperature ranges using the least squares method.
利用计算机热力学建模方法，研究了在压力为 0.1 兆帕的氮气环境中加热高等富勒烯 C90 的稳定性。利用 TERRA 软件包在 273 K 至 3373 K 的温度范围内进行了模拟。得出了 C90-N2 体系中化合物的平衡组成，并描述了导致这些化合物形成的物理化学过程。使用最小二乘法计算了不同温度范围内形成化合物平衡组成的过程的平衡常数。
期刊介绍：
Russian Physics Journal covers the broad spectrum of specialized research in applied physics, with emphasis on work with practical applications in solid-state physics, optics, and magnetism. Particularly interesting results are reported in connection with: electroluminescence and crystal phospors; semiconductors; phase transformations in solids; superconductivity; properties of thin films; and magnetomechanical phenomena.
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