一个准确的热力学模型来描述在蒸汽-液体平衡状态下的分离N2O4
Konstantin Samukov1, David Vega-Maza2, Eric W Lemmon3
1Université de Lorraine, CNRS, LRGP, 54000 Nancy, France.
概括
一个新的热力学模型准确地预测了二四氧化物 (N2O4) 分离平衡. 这种-罗宾逊模型提供了一个更简单,但有效的方法来计算蒸汽-液体平衡特性.
科学领域:
- 物理化学 物理化学
- 热力学是一种热力学.
- 化学工程是化学工程的重要组成部分.
背景情况:
- 准确的热力学模型对于理解和预测反应性化学系统的行为至关重要.
- 氧化二四氧化物 (N2O4) 解离成二氧化 (NO2) 是一个具有重大工业影响的关键反应.
- 现有的模型可能缺乏准确性或简单性来表示解离物质的复杂蒸汽-液体平衡 (VLE).
研究的目的:
- 为二氧化四氧化物 (N2O4) 开发一种新的热力学模型,准确地表示其蒸汽-液体平衡 (VLE).
- 使用实验VLE数据优化和验证模型,并评估其对液相性质的预测能力.
- 将拟议模型的性能与现有的最先进的状态方程进行比较.
主要方法:
- 使用了-罗宾逊状态方程与先进的混合规则相结合.
- 优化纯元件的临界坐标,以适应实验VLE数据在定义的变化范围.
- 通过将计算的热力学特性 (压力,密度,度) 与临界下区域的实验数据进行比较来验证模型.
主要成果:
- 开发的模型准确地表示了VLE压力和密度,以及液相密度和分离N2O4.4的热量.
- 在VLE优化区域内,较高温度反应 (例如,2NO2 2NO + O2) 的影响是可以忽略不计的.
- 该模型的准确性与现有的先进状态方程相当,尽管它相对简单且立方体性质.
结论:
- 拟议的立方体状态方程有效地模拟了分离N2O4的VLE,而不需要体积转换.
- 优化的关键参数允许准确预测反应性混合物的热力学特性.
- 该模型为涉及N2O4解离的工程应用提供了有价值和更简单的替代方案.
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