CALPHAD-assisted analysis of vapor–liquid equilibria in In–Zn, In–Sn, and In–Bi systems for vacuum recovery of indium

Manasijevic, Dragan

doi:10.1016/j.calphad.2026.102979

Article Metadata only M22

2026

Manasijevic, Dragan

Elsevier Ltd.

CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry

102979

English

M22 - Paper in a prominent international journal

The thermodynamic feasibility of vacuum separation in indium-based alloys was evaluated through an integrated CALPHAD-equilibrium approach applied to the In–Zn, In–Sn, and In–Bi systems. Temperature- and composition-dependent separation coefficients were calculated using liquid-phase activities derived from the COST 531 database. The In–Zn system exhibits extremely high relative volatility (logβZn ≈ 5–8.5), governed primarily by basic vapor pressure contrast. The In–Bi system shows moderate selectivity (logβBi ≈ 1.8–2.8), whereas the In–Sn system displays negative logβSn values (-2.7 to -2.2), indicating preferential indium evaporation. To translate relative volatility into process-relevant parameters, pressure-resolved equilibrium calculations were performed using Gibbs energy minimization in HSC Chemistry software. By applying a strict dual-threshold constraint (≥90% target component evaporation and ≤5% co-evaporation), composition-dependent optimal pressure windows were established for In–Zn and In–Sn, while composition-dependent windows or specific performance-optimized trade-off points were determined for the In–Bi system, depending on the bismuth content. The results establish a clear separation advantage of the In–Zn system, while the In–Bi and In–Sn systems exhibit considerably lower but still significant selectivity. The separation behavior is governed by the combined effect of vapor-pressure differences and liquid-phase non-ideality. The study introduces a process-oriented pressure-dependent simulation strategy which provides quantitative criteria for the thermodynamic design of vacuum refining processes for critical metal recovery.

Vapor-liquid equilibrium, Indium alloys, Vacuum refining, Separation coefficient

DOI

10.1016/j.calphad.2026.102979

ISSN

0364-5916
1873-2984

URI

https://repozitorijum.tfbor.bg.ac.rs/handle/...

Scopus OpenCitations OpenAlex

dc.creator	Manasijevic, Dragan
dc.title	CALPHAD-assisted analysis of vapor–liquid equilibria in In–Zn, In–Sn, and In–Bi systems for vacuum recovery of indium
dc.source	CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry
dc.publisher	Elsevier Ltd.
dc.date.available	2026-09-16T14:33:05Z
dc.date.issued	2026
dc.identifier.issn	0364-5916
dc.identifier.issn	1873-2984
dc.identifier.doi	10.1016/j.calphad.2026.102979
dc.citation.volume	94
dc.citation.spage	102979
dc.type	article
dc.language.iso	en
dc.type.version	publishedVersion
dc.subject	Vapor-liquid equilibrium
dc.subject	Indium alloys
dc.subject	Vacuum refining
dc.subject	Separation coefficient
dc.description.abstract	The thermodynamic feasibility of vacuum separation in indium-based alloys was evaluated through an integrated CALPHAD-equilibrium approach applied to the In–Zn, In–Sn, and In–Bi systems. Temperature- and composition-dependent separation coefficients were calculated using liquid-phase activities derived from the COST 531 database. The In–Zn system exhibits extremely high relative volatility (logβZn ≈ 5–8.5), governed primarily by basic vapor pressure contrast. The In–Bi system shows moderate selectivity (logβBi ≈ 1.8–2.8), whereas the In–Sn system displays negative logβSn values (-2.7 to -2.2), indicating preferential indium evaporation. To translate relative volatility into process-relevant parameters, pressure-resolved equilibrium calculations were performed using Gibbs energy minimization in HSC Chemistry software. By applying a strict dual-threshold constraint (≥90% target component evaporation and ≤5% co-evaporation), composition-dependent optimal pressure windows were established for In–Zn and In–Sn, while composition-dependent windows or specific performance-optimized trade-off points were determined for the In–Bi system, depending on the bismuth content. The results establish a clear separation advantage of the In–Zn system, while the In–Bi and In–Sn systems exhibit considerably lower but still significant selectivity. The separation behavior is governed by the combined effect of vapor-pressure differences and liquid-phase non-ideality. The study introduces a process-oriented pressure-dependent simulation strategy which provides quantitative criteria for the thermodynamic design of vacuum refining processes for critical metal recovery.
dc.citation.rank	M22
dc.rights.license	ARR
dc.rights.uri	All rights reserved
dc.date.accessioned	2026-10-14T11:14:27Z
dc.description.provenance	Submitted by unknown submitter on 2026-09-16 14:33:05, with 0 file(s). Approved by Милица Ницуловић (mniculovic@tfbor.bg.ac.rs) on 2026-10-14T11:14:27Z.
dc.identifier.uri	https://repozitorijum.tfbor.bg.ac.rs/handle/123456789/6124


CALPHAD-assisted analysis of vapor–liquid equilibria in In–Zn, In–Sn, and In–Bi systems for vacuum recovery of indium	7