标题： R32制冷剂的界面和热物理性质 显示英文标题

标题： Interface and Thermophysical Properties of R32 Refrigerant

摘要： 由于微电子领域对高效冷却和先进热管理系统的迫切需求，二氟甲烷（R32/CH2F2）因其优良的热物理性质，包括高传热效率和低粘度，已成为一种有前景的候选物质。 尽管密度、粘度和导热性等宏观性质已被广泛研究，但界面性质如表面张力和界面厚度仍相对缺乏研究，尽管它们在相变动力学中非常重要。 在此，我们使用一种优化的可转移力场对氟丙烯进行分子动力学（MD）模拟，温度范围为180 K-300 K，以评估R32的宏观和界面行为。 模拟结果与NIST参考数据的密度偏差在±2.1%以内，粘度偏差在3.05%以内，导热性偏差在7.41%以内。 比热容（Cp和Cv）预测误差在5%以内。 对于界面性质，表面张力趋势的偏差在15.8%以内，气液共存曲线与参考数据高度吻合，临界温度为345.7 K（偏差1.6%），临界密度为0.397 g/cm3（偏差6.4%）。 重要的是，气液界面表现出强烈的温度依赖性，在180 K到290 K之间，界面厚度增加了290%。这些验证结果提供了可靠的分子级见解，特别是对于尚不明确的界面性质。 通过降低关键参数如临界温度的预测误差，本研究为换热器和系统模型提供了可靠输入。 除了R32之外，该方法为混合制冷剂和新一代低GWP制冷剂提供了一个可转移的框架，有助于符合2027年欧盟F-Gas法规和2030年基加利修正案的可持续热管理。 显示英文摘要

摘要： Driven by the urgent demand for efficient cooling in microelectronics and advanced thermal management systems, difluoromethane (R32/CH2F2) has emerged as a promising candidate owing to its favorable thermophysical properties, including high heat transfer efficiency and low viscosity. While bulk properties such as density, viscosity, and thermal conductivity have been widely studied, interfacial properties including surface tension and interfacial thickness remain comparatively underexplored, despite their importance in phase-transition dynamics. Here, we perform molecular dynamics (MD) simulations from 180 K-300 K using an optimized transferable force field for fluoropropenes with enhanced electrostatics to assess both bulk and interfacial behavior of R32. Simulations reproduced density within +/- 2.1%, viscosity within 3.05%, and thermal conductivity within 7.41% of NIST reference data. Heat capacities (Cp and Cv) were predicted within 5%. For interfacial properties, surface tension trends were reproduced within 15.8% deviation, and the vapor-liquid coexistence curve closely matched reference data, yielding a critical temperature of 345.7 K (1.6% deviation) and a critical density of 0.397 g/cm3 (6.4% deviation). Importantly, the vapor-liquid interface exhibited strong temperature dependence, with interfacial thickness increasing by 290% between 180 K and 290 K. These validated results provide predictive molecular-level insights, particularly for interfacial properties that remain less characterized. By reducing property prediction errors in key parameters such as critical temperature, this work provides reliable inputs for heat-exchanger and system models. Beyond R32, the methodology offers a transferable framework for blended and next-generation low-GWP refrigerants, contributing to sustainable thermal management aligned with the 2027 EU F-Gas regulation and 2030 Kigali Amendment.