A DimeNet++ surrogate for cryogenic CO2-CH4-N2 interpolates single-phase states but fails every vapor-liquid equilibrium solve, showing that derivative quality, not pointwise accuracy, is the limiting factor.
A Complementarity‐based Vapor‐liquid Equilibrium Formulation for Equation‐ oriented Simulation and Optimization
1 Pith paper cite this work, alongside 5 external citations. Polarity classification is still indexing.
1
Pith paper citing it
5
external citations · OpenAlex
citation-role summary
background 1
citation-polarity summary
fields
physics.chem-ph 1years
2025 1verdicts
CONDITIONAL 1roles
background 1polarities
unclear 1representative citing papers
citing papers explorer
-
Assessing the Limits of Graph Neural Networks for Vapor-Liquid Equilibrium Prediction: A Cryogenic Mixture Case Study
A DimeNet++ surrogate for cryogenic CO2-CH4-N2 interpolates single-phase states but fails every vapor-liquid equilibrium solve, showing that derivative quality, not pointwise accuracy, is the limiting factor.