Harries Megan E, Huber Marcia L, Bruno Thomas J
University of Colorado Boulder, Boulder, Colorado 80309, United States.
Applied Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305, United States.
Energy Fuels. 2019 Aug 15;33(8):7908-7915. doi: 10.1021/acs.energyfuels.9b01366. Epub 2019 Jun 25.
By building on the Advanced Distillation Curve (ADC) approach to measuring the volatility of fuels and other fluid mixtures, the ADC with Reflux or ADCR technique was developed to address the difficulty of experimentally determining the vapor-liquid equilibrium of fluids containing many components. For fuels and other multicomponent mixtures, the ADCR collects data about the chemical compositions of both liquid and vapor phases across a range of temperatures, elucidating the two-phase region at constant pressure. Two simple mixtures were used to demonstrate the ADCR method: an -decane/-tetradecane binary and the Huber-Bruno surrogate, a ternary mixture designed to represent the volatility of an aviation turbine kerosene. These mixtures were chosen to test the method because they have been extensively studied and modeled in previous work. For both test fluids, the ADCR measurements of vapor-liquid equilibrium were in good agreement with model predictions. We conclude that the ADCR is a useful method for determining the behavior of fluid mixtures with many components. The experimental approach presented may support the development of fuels, design of separations, and forensic sciences that use vapor analysis, especially arson fire debris analysis, by providing quantitative data with well-characterized uncertainty describing the relationships between the vapor and condensed phases of a fuel subjected to thermal weathering.
在基于先进蒸馏曲线(ADC)方法测量燃料及其他流体混合物挥发性的基础上,开发了带回流的ADC或ADCR技术,以解决实验确定含多种组分流体气液平衡的难题。对于燃料及其他多组分混合物,ADCR在一系列温度范围内收集液相和气相的化学成分数据,阐明恒压下的两相区域。使用了两种简单混合物来演示ADCR方法:一种是正癸烷/正十四烷二元混合物,另一种是休伯 - 布鲁诺替代物,即一种旨在代表航空涡轮煤油挥发性的三元混合物。选择这些混合物来测试该方法,是因为它们在先前的工作中已得到广泛研究和建模。对于这两种测试流体,气液平衡的ADCR测量结果与模型预测结果吻合良好。我们得出结论,ADCR是确定含多种组分流体混合物行为的一种有用方法。所提出的实验方法通过提供具有明确不确定性的定量数据来描述受热风化燃料气液相之间的关系,可能会支持燃料开发、分离设计以及使用气相分析的法医学,特别是纵火火灾碎片分析。