Thermodynamic assessment of the sulfur and the nickel-sulfur systems

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL

Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2025-03-16 DOI:10.1016/j.calphad.2025.102821

Wenhao Ma , Julian Gebauer , Andreas Klaus Czerny , Maryam Rahimi Chegeni , Isabella Gallino , Ralf Busch , Hans Jürgen Seifert

引用次数: 0

Abstract

The sulfur and the nickel-sulfur binary systems are important in many fields. In this work, the pure sulfur is remodeled within the framework of the third-generation database approach from 0 K to above the melting point. Likewise, a new thermodynamic dataset is developed for the nickel sulfur binary system. The new thermodynamic dataset provides a reliable description of all relevant intermetallic and non-stoichiometric phases. The supercooled liquid described using the two-state liquid model is considered more realistic. An assessment on the sulfur solubility in FCC nickel is also conducted in this work. The calculated phase diagram, thermodynamic and thermophysical data show good agreement with the literature.

查看原文本刊更多论文

求助全文

约1分钟内获得全文求助全文

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.