Comment on “The solid–liquid equilibrium behavior of ε-CL-20 in 10 pure solvents and its molecular mechanism”

IF 5.1 2区 工程技术 Q2 ENGINEERING, CHEMICAL
Chemical Engineering Science Pub Date : 2026-05-15 Epub Date: 2026-02-11 DOI:10.1016/j.ces.2026.123535
Kui Wu , Chaohui Che , Xiaofang Li , Yujiang Ke
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引用次数: 0

Abstract

This comment focus on issues related to the paper “Solid-Liquid Equilibrium Behavior of ε-CL-20 in 10 Pure Solvents and Its Molecular Mechanism” by Wang and collaborators [Chemical Engineering Science, 2025, 302 (Part B):120924]. First, errors in the heading of Table S7 and S8 in the Supporting Information are noted. Second, excessive rounding was identified in the fitting parameters across Supporting Information Tables S7-S9. Limiting precision to three significant digits not only reduced the predictive accuracy of the solubility model, i.e. making it impossible to reproduce the fitted solubility data using the model parameters, but also undermined the conclusions drawn in Part 4.2 of the paper regarding the comparative performance of thermodynamic models. Through case verification and parameter refitting, this commentary confirms the impact of these issues on the reliability of the research findings.
对“ε-CL-20在10种纯溶剂中的固液平衡行为及其分子机理”一文的评析
本文对Wang等人的论文“ε-CL-20在10种纯溶剂中的固液平衡行为及其分子机理”的相关问题进行了评述[化学工程科学,2025,302 (B):120924]。首先,注意到支持信息中表S7和表S8标题的错误。其次,在支持信息表S7-S9的拟合参数中发现了过度舍入。将精度限制在三位有效数字不仅降低了溶解度模型的预测精度,即无法使用模型参数重现拟合的溶解度数据,而且还破坏了本文第4.2部分关于热力学模型比较性能的结论。本文通过案例验证和参数修正,证实了这些问题对研究结果可靠性的影响。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Chemical Engineering Science
Chemical Engineering Science 工程技术-工程:化工
CiteScore
7.50
自引率
8.50%
发文量
1025
审稿时长
50 days
期刊介绍: Chemical engineering enables the transformation of natural resources and energy into useful products for society. It draws on and applies natural sciences, mathematics and economics, and has developed fundamental engineering science that underpins the discipline. Chemical Engineering Science (CES) has been publishing papers on the fundamentals of chemical engineering since 1951. CES is the platform where the most significant advances in the discipline have ever since been published. Chemical Engineering Science has accompanied and sustained chemical engineering through its development into the vibrant and broad scientific discipline it is today.
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