E. Aguilar-Huerta, A. B. Salazar-Arriaga, Héctor Dominguez
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引用次数: 0
摘要
对封闭在不同几何形状(球体、圆柱体和狭缝状孔隙)中的简单伦纳德-琼斯流体进行了蒙特卡罗模拟,以研究汽液转变。得到了温度-密度(T-ρ)和压力-温度(P-T)相图。根据每个系统的克拉皮隆方程绘制出了每个几何形状的共存线,并根据临界温度提出了适用于所有系统的 P -T 方程。此外,还根据直接从模拟数据中获得的焓计算值评估了过渡潜热,并根据密度曲线评估了流体结构。
The latent heat of confined fluids calculated from the Clausius-Clapeyron equation
Monte Carlo simulations of simple Lennard Jones fluids confined in different geometries, sphere, cylinder and slit-like pores are conducted to study the vapour-liquid transition. Phase diagrams, in the temperature-density (T-ρ) and pressure-temperature (P-T) are obtained. For each geometry the coexistence lines are plotted from the clapeyron equation of each systems and a P −T equation is proposed in terms of the critical temperature which works for all the systems. Additionally, the transition latent heat is also evaluated, from the enthalpy calculation obtained directly from the simulation data, and the fluid structure from density profiles.