Abstract D-limonene is a monoterpene naturally found in citrus peels, especially lemons and oranges, and is responsible for their strong odour. D-Limonene has specific properties that enable its use in various industrial segments such as foods, perfumes, beverages, cosmetics, pharmaceuticals, detergents, soaps, insecticides, disinfectants, fine chemicals, as a biodegradable solvent, and so on. Among the ways in which limonene can be used, the mixture of d-limonene with alcohol compounds has a great application potential, since alcoholic extracts of citrus essential oils have high solubility in aqueous solutions, reducing the occurrence of oxidation reactions as well as increasing the aromatic resistance of the mixture. However, studies on the thermodynamic properties of alcohol compounds and terpenes mixtures are still scarce. Thus, in this study, the density (ρ) and excess molar volume data ( V m E ) of seven binary mixtures of d-limonene with 1-propanol, 1-butanol, 1-pentanol, 1-hexanol, 1-octanol, 1-decanol and 1-dodecanol were determined at 298.15 K and throughout the whole mole fraction range. The flash point (FP) of these same mixtures was also determined from the 0.0 to 1.0 mol fraction range. The FP experimental values were compared to FP values calculated using Liaw’s approach and the activity coefficient models UNIQUAC, NRTL, UNIFAC and Ideal, with an average deviation of (0.55, 0.57, 1.43 and 4.02) K, respectively. The interaction parameters of the models UNIQUAC and NRTL were thus shown to be well adjusted and provide a better description of the FP behaviour than the ideal and UNIFAC models, as expected. The excess molar volumes calculated with use of density determination were all positive, indicating that the molecule interactions in the mixtures are weaker than those in the pure components causing an expansion of excess molar volume (>0). This behaviour was also corroborated by the activity coefficients calculated.

中文翻译：

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含有 d-柠檬烯和从丙醇到十二醇的醇化合物的二元混合物的闪点和过量摩尔体积

摘要 D-柠檬烯是一种天然存在于柑橘皮中的单萜，尤其是柠檬和橙子，是造成它们强烈气味的原因。D-柠檬烯具有特定的特性，使其可用于各种工业领域，如食品、香水、饮料、化妆品、药品、洗涤剂、肥皂、杀虫剂、消毒剂、精细化学品，作为可生物降解的溶剂等。在柠檬烯的使用方法中，d-柠檬烯与醇类化合物的混合物具有很大的应用潜力，因为柑橘精油的醇提取物在水溶液中具有很高的溶解度，减少了氧化反应的发生，增加了混合物的耐芳香性。然而，关于醇类化合物和萜烯混合物的热力学性质的研究仍然很少。因此，在本研究中，d-柠檬烯与 1-丙醇、1-丁醇、1-戊醇、1-己醇、1-辛醇、1-癸醇和 1-的七种二元混合物的密度 (ρ) 和过量摩尔体积数据 (V m E )十二醇在 298.15 K 和整个摩尔分数范围内测定。这些相同混合物的闪点 (FP) 也在 0.0 至 1.0 摩尔分数范围内确定。将 FP 实验值与使用 Liaw 方法计算的 FP 值和活动系数模型 UNIQUAC、NRTL、UNIFAC 和 Ideal 进行比较，平均偏差分别为 (0.55、0.57、1.43 和 4.02) K。因此，与理想模型和 UNIFAC 模型相比，UNIQUAC 和 NRTL 模型的交互参数被很好地调整并提供了对 FP 行为的更好描述，正如预期的那样。使用密度测定计算的过量摩尔体积均为正值，表明混合物中的分子相互作用比纯组分中的分子相互作用弱，导致过量摩尔体积扩大 (>0)。计算的活动系数也证实了这种行为。