Experimental measurement and model prediction of solid-liquid equilibrium for methane-ethane binary system

Liu, Bowen; Wang, Lei; Shangguan, Shi; Li, Yanzhong; Liu, Tong; Ma, Yichen; Lei, Gang

doi:10.1016/j.jct.2022.106829

Cited by 3 publications

(1 citation statement)

References 34 publications

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“…Furthermore, SLE data provide important theoretical data for process development, nucleation kinetics, and crystal growth kinetics . The cooling–heating recycling method, cooling curve method, and the differential scanning calorimetry (DSC) method are widely used for SLE measurements. − The cooling–heating recycling method allows accurate control of temperature and visual observation of melting with low-cost, accurate, and reliable results, which is widely used by researchers. − Theoretical correlation also plays a vital role in the SLE study since it offers a distinct understanding of SLE behavior. The Wilson model and NRTL model − are two commonly used models for SLE data correlation, and good correlation results can be obtained by comparing to experimental results.…”

Section: Introductionmentioning

confidence: 99%

Crystal Structures and Binary Molten Solid–Liquid Equilibria of tert-Butylmethylphenol Isomers

Mao,

Xing,

et al. 2024

J. Chem. Eng. Data

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Single crystals of 2-tert-butyl-5-methylphenol anhydrate and 2tert-butyl-5-methylphenol quarterhydrate were prepared and presented for the first time in this work. The structures were characterized by single-crystal X-ray diffraction and DSC analysis. The solid−liquid equilibrium (SLE) for 2-tertbutyl-4-methylphenol with 2-tert-butyl-5-methylphenol anhydrate or 2-tert-butyl-5-methylphenol quarterhydrate was studied by the cooling−heating recycling method using a synthetic visual technique at atmospheric pressure (101.6 ± 1.2 kPa). The experimental SLE data for the two binary systems were reported, and both systems showed simple eutectic behavior. The SLE data were further correlated by Wilson and NRTL (nonrandom two-liquid) models, and the optimally fitted parameters of the two systems were presented. Computational studies on geometric optimization and energy calculation were performed using density functional theory, and the lower energy configuration of 2-tert-butyl-5methylphenol quarterhydrate could explain the spontaneous incorporation of water in the anhydrous form. These novel data provide valuable information in designing and optimizing the melt crystallization process of tert-butylmethylphenol isomers.

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