Determining the H₂ solubility in model compounds that represent lignocellulose derivatives is valuable for the study of upgrading processes such as hydrodeoxygenation. In this work, γ-heptalactone and γ-nonalactone are studied as model compounds at conditions relevant to hydrodeoxygenation. The solubility of H₂ in the lactones was determined in the range of 479 to 582 K and 3 to 10 MPa. The solubility measurements were performed in a continuous flow setup based on the visual observation of the bubble point. Furthermore, the densities of the lactones were measured in order to provide the necessary data for the solubility calculations. The density measurements were performed from 293 to 373 K and from 0.16 to 9.9 MPa in a vibrating tube density meter. Using the measurements, a model of the density as a function of temperature and pressure was developed, obtaining average relative deviations on the order of 0.1%. Similarly, the Peng–Robinson equation of state with the Boston–Mathias modification was used to predict the H₂ solubility in the lactones. A temperature-dependent model of the symmetric binary parameter of the equation of state was regressed from the data in order to improve the predictions.

中文翻译：

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加氢脱氧模型化合物γ-庚内酯和γ-壬基内酯：密度从293至473 K，H ₂溶解度从479至582 K

确定H ₂在代表木质纤维素衍生物的模型化合物中的溶解度对于研究升级过程（例如加氢脱氧）非常有价值。在这项工作中，研究了γ-庚内酯和γ-壬内酯作为模型化合物在与加氢脱氧有关的条件下的作用。H ₂的溶解度在内酯中测定的内酰胺在479至582K和3至10MPa的范围内。溶解度的测量是基于目视观察到的气泡点，以连续流动的方式进行的。此外，测量内酯的密度以提供用于溶解度计算的必要数据。在振动管密度计中，在293至373 K和0.16至9.9 MPa的范围内进行密度测量。利用这些测量结果，建立了密度随温度和压力变化的模型，得出的平均相对偏差约为0.1％。类似地，使用经波士顿-马修斯修正的Peng-Robinson状态方程来预测H ₂在内酯中的溶解度。从数据中回归出状态方程的对称二进制参数的温度相关模型，以改善预测结果。