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Predicting the Solvent Properties of Supercritical Water by Integrating Solubility Parameter Theory and Molecular Force Fields (Advanced Chemical Engineering 1/2026)

  • Jiacheng Niu
  • , Qiuyang Zhao
  • , Lichen Zheng
  • , Bowen Ke
  • , Zhiwei Song
  • , Yin Chen
  • , Hui Jin
  • , Michael J. Adams
  • , Liejin Guo

Research output: Contribution to journal › Article › peer-review

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Abstract

Supercritical Water

In article number e70000, Qiuyang Zhao, Michael J. Adams, Liejin Guo, and co-workers highlight supercritical water's tuneable solvent power. The left depicts a liquid-like state with a dense hydrogen-bond network, suitable for solvating polar species and ions. The right illustrates a gas-like state with a sparse network, favouring nonpolar macromolecules. The central energy bands (Ehb, Ep, Ed) represent the energy decomposition framework linking these microscopic interactions to sustainable chemical engineering applications.
Original languageEnglish
Article numbere70002
Number of pages1
JournalAdvanced Chemical Engineering
Volume1
Issue number1
DOIs
Publication statusPublished - 5 Jun 2026

Keywords

  • hydrogen bond
  • energy decomposition
  • molecular dynamics simulation
  • solubility parameters
  • supercritical water

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