2025 AIChE Annual Meeting

Session: Thermophysical Properties and Phase Behavior I

Experimental and theoretical contributions to the general field of thermodynamic properties and phase behavior are encouraged, including those that introduce novel experimental or modeling techniques. Papers on non-equilibrium thermodynamics are also encouraged. The topic and style of the presentations should be consistent with the broader audience of this session.

Chair

Erik Santiso, NC State University

Co-Chairs

Sanket Deshmukh, Virginia Polytechnic Institute and State University
Hiroyuki Matsuda, Nihon University
Clare McCabe, Vanderbilt University

Presentations

08:00 AM

(649a) Universal Fundamental Relations for the Prediction of Thermophysical Properties
Bradley Olsen, Oliver Xie

08:15 AM

(649b) Accelerating Multicomponent Phase-Coexistence Calculations with Physics-Informed Neural Networks
Shengli Jiang, Satyen Dhamankar, Michael Webb

08:30 AM

(649c) Application of Machine Learning Methods to Infer Virial Coefficients from Experimental Data
Raghavendran Suresh, Andrew J. Schultz, David A. Kofke

08:45 AM

(649d) Equivariant Machine Learning Models for Predicting VLE, Vapor Pressure, and Azeotropes
Mohammad Alam, Charles McGill

09:00 AM

(649e) A New Method for Isenthalpic Phase Equilibrium Calculations By Direct Maximization of Entropy Using a Combined SSI-Modified Newton Algorithm
Juan Heringer, Lingfei Xu, Arthur Moncorgé, Dan Vladimir Nichita

09:15 AM

(649f) Quantum Corrections to the Kinetic Energy and the Thermodynamic Properties of Cryogenic Fluids
Ulrich K. Deiters, Richard Sadus

10:00 AM

(649i) Association Thermodynamic Models in Aspen Process Simulators
Usman Hamid, Selim Anavi, Shu Wang

10:15 AM

(649j) Replacement of the Ostwald Rule of Stages to Predict the Sequence of Appearance of Crystal Polymorphs
Peter Vekilov, Manasa Yerragunta, Rohith Pulluri, Monika Warzecha, Alastair Florence