二元烃混合物逆行缩聚的直接能量最小化数值模拟

IF 0.4 4区物理与天体物理 Q4 PHYSICS, MULTIDISCIPLINARY

Moscow University Physics Bulletin Pub Date : 2025-05-11 DOI:10.3103/S0027134925700079

A. V. Isaeva

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引用次数: 0

摘要

本文以二元烃类混合物为例，研究了逆行缩合反应。论证了用直接能量最小化法数值模拟这一现象的可行性。为了验证计算结果，使用“经典”迭代算法进行了类似的模拟，以计算碳氢化合物混合物中的气液平衡。将模拟结果与物理实验数据进行比较，证实了直接能量最小化法在烃类混合物相变计算中的应用前景。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Numerical Simulation of Retrograde Condensation of Binary Hydrocarbon Mixtures Using Direct Energy Minimization

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Numerical Simulation of Retrograde Condensation of Binary Hydrocarbon Mixtures Using Direct Energy Minimization

In this paper, retrograde condensation is considered using binary mixtures of hydrocarbons as an example. The feasibility of numerical simulation of this phenomenon using the direct energy minimization is demonstrated. To verify the calculations, similar simulations are performed using the ‘‘classical’’ iterative algorithm for calculating vapor–liquid equilibria in hydrocarbon mixtures. A comparison of the simulation results with the data of physical experiments confirms the prospects of using the direct energy minimization method for phase transition calculations in hydrocarbon mixtures.

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来源期刊

Moscow University Physics Bulletin PHYSICS, MULTIDISCIPLINARY-

CiteScore

0.70

自引率

0.00%

发文量

129

审稿时长

6-12 weeks

期刊介绍： Moscow University Physics Bulletin publishes original papers (reviews, articles, and brief communications) in the following fields of experimental and theoretical physics: theoretical and mathematical physics; physics of nuclei and elementary particles; radiophysics, electronics, acoustics; optics and spectroscopy; laser physics; condensed matter physics; chemical physics, physical kinetics, and plasma physics; biophysics and medical physics; astronomy, astrophysics, and cosmology; physics of the Earth’s, atmosphere, and hydrosphere.