Measurement and prediction of isothermal vapor–liquid equilibrium of α-pinene + camphene/longifolene + abietic acid + palustric acid + neoabietic acid systems

Li, Youqi; Chen, Xiaopeng; Wang, Linlin; Wei, Xiaojie; Nong, Weijian; Liang, Jiezhen

doi:10.1016/j.cjche.2021.12.030

Cited by 6 publications

(1 citation statement)

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“…To date, much effort has been devoted to the study of the components of turpentine, providing many vapor–liquid equilibrium data for turpentine, for example, α-pinene + β-pinene, limonene + α-pinene/β-pinene/ p -cymene, , α-pinene + β-caryophyllene +2-pentene, and (−)-β-caryophyllene + p -cymene +3-carene, and vapor–liquid equilibrium data of the components of turpentine with various resin acids. , However, the vapor–liquid equilibrium of the components of turpentine containing chemical stimulants has not been studied yet.…”

Section: Introductionmentioning

confidence: 99%

Measurement and Correlation of Isothermal Vapor–Liquid Equilibrium Data for (−)-α-Pinene + (−)-β-Pinene + Water + Phenoxyacetic Acid

Wei

Chen

Wang

et al. 2023

Ind. Eng. Chem. Res.

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Isothermal vapor–liquid equilibrium data of the binary system (−)-α-pinene + (−)-β-pinene and the quaternary system (−)-α-pinene + (−)-β-pinene + water + phenoxyacetic acid were measured at 313.2, 323.2, and 333.2 K using headspace gas chromatography. The experimental data showed that the addition of phenoxyacetic acid and water promoted the separation of (−)-α-pinene and (−)-β-pinene. The experimental data were correlated using the UNIQUAC and NRTL models. The two models showed good correlation for the binary system, whereas the UNIQUAC model gave more accuracy for the quaternary system. Moreover, the COSMO-RS model can be an efficacious method for predicting VLE data of the determined binary and quaternary systems. In addition, the optimal spatial configuration and binding energy between the molecules were obtained by DFT, and the effects on (−)-α-pinene and (−)-β-pinene with the addition of phenoxyacetic acid and water were discussed on the molecular scale.

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