Calphad-Type Description of Sugar alcohols potential candidate as phase change material

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL

Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2023-11-17 DOI:10.1016/j.calphad.2023.102638

Mohamed Idbenali , Said Kardellass , M'barek Feddaoui , Najim Selhaoui

引用次数: 0

Abstract

In this paper, the Sorbitol-Xylitol and Sorbitol-Erythritol two binary systems were computationally investigated. Experimental data including both phase diagrams and thermodynamic information are used as data supports in CALPHAD approach. Four binary phases that in the studied systems: (Erythritol), (Xylitol), (Sorbitol) and liquid are treated as substitution solution. The standard thermodynamic functions of Sorbitol were calculated from the available heat capacity data. Our calculations are in good agreement with the phase diagram data and experimental thermodynamic data available in the literature.

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糖醇作为相变材料的潜在候选物的卡尔法式描述

本文对山梨糖醇-木糖醇和山梨糖醇-赤藓糖醇两个二元体系进行了计算研究。实验数据包括相图和热力学信息作为CALPHAD方法的数据支持。将研究体系中的四种二相(赤藓糖醇)、(木糖醇)、(山梨糖醇)和液体作为取代溶液处理。根据现有的热容数据计算了山梨醇的标准热力学函数。我们的计算与文献中可用的相图数据和实验热力学数据符合得很好。

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

Calphad-computer Coupling of Phase Diagrams and Thermochemistry 化学-热力学

CiteScore

4.00

自引率

16.70%

发文量

审稿时长

2.5 months

期刊介绍： The design of industrial processes requires reliable thermodynamic data. CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) aims to promote computational thermodynamics through development of models to represent thermodynamic properties for various phases which permit prediction of properties of multicomponent systems from those of binary and ternary subsystems, critical assessment of data and their incorporation into self-consistent databases, development of software to optimize and derive thermodynamic parameters and the development and use of databanks for calculations to improve understanding of various industrial and technological processes. This work is disseminated through the CALPHAD journal and its annual conference.