Papers citing Machine learning for predicting thermodynamic properties of pure fluids and their mixtures
Dielectric and Mechanical Properties Improvement of High Voltage XLPE Using Micro and Nano Aluminum Oxide Filler
International Middle East Power Systems Conference (MEPCON) · 2023
Shaymaa A. Qenawy, Loai Nasrat, Nesreen. M. Samir
Read original paper ↗ ·Transient Flow Characteristics of High-Pressure Hydrogen-Containing Mixtures During Discharge Through Orifices
SSRN Electronic Journal · 2024
思远 程
Read original paper ↗ ·Graph attention neural networks for mapping materials and molecules beyond short-range interatomic correlations
Journal of Physics Condensed Matter · 2024
Yuanbin Liu, Xin Liu, Bing Cao
Read original paper ↗ ·Revolutionizing physics: a comprehensive survey of machine learning applications
Frontiers in Physics · 2024
Rahul Suresh, Hardik Bishnoi, Artem V. Kuklin, Atharva Parikh, Мaxim S. Моlokeev, R. Harinarayanan, Sarvesh Gharat, P Hiba
Read original paper ↗ ·Strategy of Coupling Artificial Intelligence with Thermodynamic Mechanism for Predicting Complex Polymer Viscosities
ACS Sustainable Chemistry & Engineering · 2024
Siqi Wang, Gabriele Sadowski, Yuanhui Ji
Read original paper ↗ ·A bayesian deep learning-based approach to group contribution methods: A study on cannabinoids and terpenes
Fluid Phase Equilibria · 2024
Tatiana Lamprea, Gustavo A. Orozco, Hector Javier Hortua
Read original paper ↗ ·Deep-learning-based acceleration of critical point calculations
Chemical Engineering Science · 2024
Vishnu Jayaprakash, Huazhou Andy Li
Read original paper ↗ ·Leveraging High-throughput Molecular Simulations and Machine Learning for Formulation Design
ChemRxiv · 2024
Alex K. Chew, Mohammad Atif Faiz Afzal, Zach Kaplan, Eric M. Collins, Suraj Gattani, Mayank Misra, Anand R. Chandrasekaran, Karl Leswing, Mathew David Halls
Read original paper ↗ ·Machine Learning Assisted Discovery of Efficient MOFs for One-Step C2H4 Purification from Ternary C2H2/C2H4/C2H6 Mixtures
Journal of Chemical & Engineering Data · 2024
Tongan Yan, Zhengqing Zhang, Chongli Zhong
Read original paper ↗ ·Data-driven approach augmented by attention mechanism in critical and boiling thermophysical properties prediction of fluorine/chlorine-based refrigerants
Energy · 2024
Yichuan He, Yanhui Feng, Lin Qiu, Dawei Tang
Read original paper ↗ ·Process Systems Engineering Tools for Optimization of Trained Machine Learning Models: Comparative and Perspective
Industrial & Engineering Chemistry Research · 2024
Francisco Javier López-Flores, César Ramírez Márquez, José María Ponce‐Ortega
Read original paper ↗ ·NNEoS : Neural network-based thermodynamically consistent equation of state for fast and accurate flash calculations
Applied Energy · 2024
Jingang Qu, Soleiman Yousef, Thibault Faney, Jean-Charles de Hemptinne, Patrick Gallinari
Read original paper ↗ ·A Method for Efficiently Predicting the Radial Distribution Function and Osmotic Coefficients of Aqueous Electrolyte Solutions
Journal of Chemical Theory and Computation · 2024
Junji Zhang, Debra J. Searles, Timothy T. Duignan
Read original paper ↗ ·Molecular dynamics simulations on salt deposition and nucleation in supercritical water
Journal of Molecular Liquids · 2024
Bing He, Donghai Xu, Peng Feng, Qingshan Liu, Pan Wang, Xiaopo Wang, Feridun Esmaeilzadeh, Gang Chen
Read original paper ↗ ·Development and construction of a cost-effective non-contact instrument for measuring the dielectric constant of liquids
Review of Scientific Instruments · 2024
Akram Hassanpouryouzband, Iraj Ahadzadeh, Abbas Mehrdad, Somayyeh Panahpour
Read original paper ↗ ·Impact of inhibition mechanisms, automation, and computational models on the discovery of organic corrosion inhibitors
Progress in Materials Science · 2024
David Alan Winkler, Anthony ewart Hughes, Can Özkan, J.M.C. Mol, Tim Würger, Christian Feiler, Dawei Zhang, Sviatlana V. Lamaka
Read original paper ↗ ·Machine Learning for Fluid Thermodynamics: State of the Art and Open Challenges
IEEE Access · 2025
Federico Succetti, Massimo Panella, Paolo Giannitrapani, Jean-Christophe Rigo, Stefania Colonnese
Read original paper ↗ ·Understanding the language of molecules: predicting pure component parameters for the PC-SAFT equation of state from SMILES
Digital Discovery · 2025
Benedikt Winter, Philipp Rehner, Timm Esper, Johannes Schilling, André Bardow
Read original paper ↗ ·Assessing suitability of glycerol-derived green solvent for the separation of n-hexane + ethanol azeotropic mixture, accompanied by VLE studies using machine learning
Journal of Molecular Liquids · 2025
Anshu Sharma, Bong‐Seop Lee, Hun Yong Shin
Read original paper ↗ ·Explicit-model exploring framework integrating thermodynamic principles and interpretable machine learning in predicting gaseous speed of sound
Energy · 2025
Xiayao Peng, Ying Ching Tan, Xu Liu, Zhen Yang, Yuanyuan Duan
Read original paper ↗ ·Gaseous PVTx Properties of the CO2–N2O Binary Mixture: Experiment and Simulation
ACS Omega · 2025
Ruiting Suo, Shide Mao, Xunli Shi
Read original paper ↗ ·Leveraging high-throughput molecular simulations and machine learning for the design of chemical mixtures
npj Computational Materials · 2025
Alex K. Chew, Mohammad Atif Faiz Afzal, Zachary Kaplan, Eric M. Collins, Suraj Gattani, Mayank Misra, Anand R. Chandrasekaran, Karl Leswing, Mathew David Halls
Read original paper ↗ ·Thermophysical property prediction of supercritical multiple mixtures fluid by molecular dynamics simulation
Journal of Molecular Liquids · 2025
Tete Gui, Jiasunle Li, Zhiwei Ge, Liejin Guo
Read original paper ↗ ·Study on the Effect of the Electron Density-Characterized Groups on the Nitrogen Transformation during Coal Pyrolysis
The Journal of Physical Chemistry A · 2025
Hai Feng Zhang, Xin Wang, Chuanjin Zhao, Saibei Luo, Weidong Fan
Read original paper ↗ ·Machine learning models for volumetric swelling in uranium nitride
Journal of Nuclear Materials · 2025
Renai Chen, "Zachary J. Miller, Tammie R. Gibson, Vedant Mehta, Massimiliano Fratoni, Alex Levinsky, Galen T. Craven
Read original paper ↗ ·Sol-gel auto-combustion synthesized ZnMn2O4 for efficient photocatalytic Congo red degradation: structural, kinetics, computational, and ecotoxicity analyses
Journal of Physics and Chemistry of Solids · 2025
N. Ahmia, M. Benamira, L. Messaadia, Rida Masmoudi, David Horwat, Ivalina A. Avramova
Read original paper ↗ ·Machine learning model of plant fiber/PLA composite: Prediction and analysis of mechanical strength
Composites Part A Applied Science and Manufacturing · 2025
Fei Yi Yang, Cunyuan Wen, Sheng Zhu, Yucheng Feng, Zhile Ye, Huxing Peng, Peilin Guan
Read original paper ↗ ·Photocatalytic degradation of an organic pollutant using ZnMn2O4/TiO2 heterojunction under solar light
Materials Science and Engineering B · 2025
N. Ahmia, M. Benamira, L. Messaadia, Hicham Lahmar, Mohamed Trari, Ivalina A. Avramova
Read original paper ↗ ·Integrated design of solvent–antisolvent mixtures and crystallization processes powered by machine learning
Computers & Chemical Engineering · 2025
Luca Bosetti, Benedikt Winter, Johanna Lindfeld, André Bardow
Read original paper ↗ ·Tradition of Data-Intensive Use: The Example of Domain Thermophysics. Methods and Algorithms
Automatic Documentation and Mathematical Linguistics · 2025
Adilbek Omirbekovich Erkimbaev, Vladimir Yu. Zitserman, Г. А. Кобзев
Read original paper ↗ ·Development of Surrogate Models for Thermophysical Properties of Petroleum-Based Rocket Kerosene Using BP-ANN Algorithm
International Journal of Thermophysics · 2025
Jiaqing Zhang, Zhenye Yang, Fan Yang, Zhaohui Liu
Read original paper ↗ ·Development of a generalizable and interpretable machine learning model for predicting hydrogen production from supercritical water gasification using generative adversarial network data augmentation
Journal of environmental chemical engineering · 2025
Jianghua Tian, Hanbing Jia, Runqiu Dong, Zhiyong Peng, Zhigang Liu, Lei Yi, Le Wang, Jialing Xu, Hui Jin, Bin Chen, Liejin Guo
Read original paper ↗ ·Toward a Generalizable Prediction Model of Molten Salt Mixture Density with Chemistry‐Informed Transfer Learning
ChemPhysChem · 2025
Julian Barra, Shayan Shahbazi, Anthony Birri, Rajni Chahal, Ibrahim Isah, Muhammad Nouman Anwar, Tyler Starkus, Prasanna Balaprakash, Stephen Lam
Read original paper ↗ ·Thermal conductivity prediction of BN composites based on Enhanced Co-ANN combined with physical attention mechanisms
Energy and AI · 2025
Chen Liu, Tong Li, Yuandong Guo, Guiping Lin
Read original paper ↗ ·A physically interpretable machine-learning method in efficiently and explicitly exploring predictive thermodynamic models for mixture working fluids
Energy · 2025
Xiayao Peng, Qing Kang, Ying Ching Tan, Zhen Yang, Yuanyuan Duan
Read original paper ↗ ·Research on the prediction model of effective thermal conductivity of marine natural gas hydrate reservoirs based on machine learning
Chinese Journal of Chemical Engineering · 2025
Kefeng Yan, Jiajia Yan, Ting Huang, Minghang Mao, Xiaosen Li, Zhaoyang Chen, Weixin Pang, Rui Qin
Read original paper ↗ ·Thermodynamics-Grounded AI-Collaboration Trend in Systematically Exploring Models and Interpretably Predicting Thermophysical Properties for Working Fluids
Energy Use · 2026
Xiayao Peng, Yiyang Jin, Jian Li, Zhen Yang, Yuanyuan Duan
Read original paper ↗ ·WITHDRAWN: Kolmogorov-Arnold Networks for Predicting Dense Gas Thermodynamics
AIAA SciTech Forum · 2026
Sakol Bun, Justin Jimenez, Jingyi Zeng, Arash Sarshar
Read original paper ↗ ·Advancing Biodiesel Quality Assessment Using Machine Learning Algorithms: A Mini-Review on Oxidative Stability Prediction and Models Benchmarking
Energy & Fuels · 2026
Usman Bello, Haruna Adamu, Muhammad Faizan, Maryem Ourimi, Roa'a H. Alzoubi, Abdul Aziz Jallow, Mohammad Nahid Siddiqui, Abdul Gani Abdul Jameel
Read original paper ↗ ·Emerging Advanced Electronic Packaging Materials for Thermal Management in Power Electronics
Advanced Science · 2026
Yongjun Huo, Jiaqi Song, Wenqian Li, J. Y. Zhang, Yujin Zhang, Yang Fu, Wangchao Yuan, Xin Chen, Sichen Liu, Miao Jiang, Yuan Cheng, Gang Zhang
Read original paper ↗ ·Thermal conductivity gradation design in alumina-polymer thermal interface materials based on DF-PINN and Bayesian optimisation
International Journal of Heat and Mass Transfer · 2026
Chen Liu, Yuandong Guo, Tong Li, Weiwei Li, Jianyin Miao, Guiping Lin
Read original paper ↗ ·Thermodynamic Study of Propyl Propanoate and 1-Alkanols (C 6 –C 10 ): Application of Machine Learning for Prediction of Density of Mixtures
Journal of Chemical & Engineering Data · 2026
Mohammad Almasi, Adel Noubigh, Nasim Rahmani-Ivriq
Read original paper ↗ ·Transient temperature, pressure, and flow characteristics of high-pressure hydrogen-containing mixtures during discharge from an orifice
International Journal of Hydrogen Energy · 2026
思远 程, Baiyang Yue, Fengyi Li, Fei Shang, Weigang Ma, Hui Jin, Naoya Sakoda, Xing Zhang, Li Guo
Read original paper ↗ ·Prediction of vapor–liquid equilibrium and azeotropic behavior of binary refrigerant blends by machine learning with COSMO-RS-based descriptors
International Journal of Refrigeration · 2026
Fei Jiang, Zicong Yin, Jingpeng Zhang, Jielin Luo, Weidong Wu, Long Jiang, Xiaohong Han, Gongran Ye
Read original paper ↗ ·Harnessing Kolmogorov-Arnold networks for refrigerant property prediction: Critical and boiling point analysis
Thermochimica Acta · 2026
Bolin Dai, Lizhi Zhang, Zheng Dianfeng, Yuqi Guo, Pengfei Guo
Read original paper ↗ ·Machine Learning-Based Prediction of Phase Equilibria and Interfacial Properties of Multicomponent CO2 Mixtures with Impurities: Application to CO2 Transportation
Industrial & Engineering Chemistry Research · 2026
Darshan Raju, R. Skartlien, Mahinder Ramdin, Thijs J. H. Vlugt
Read original paper ↗ ·HiPrFlame-An ab initio based real-fluid modeling approach for high-pressure combustion-II. Generalization to large saturated alkanes via universal atomic force fields and ML-based property predictions without hard-sphere approximation
Combustion and Flame · 2026
Hongjie Zhang, Ting Zhang, Jingyi Liu, Song Cheng
Read original paper ↗ ·Fluid phase behavior under shale nanoconfinement effect: Advances and challenges from molecular simulation
Advances in Colloid and Interface Science · 2026
Zhenyao Xu, Liang Huang, Qiujie Chen, Sirun An, Zhe Yang, Zishuo Qu, Jincheng Hu, Shuang Zhao, Jiahao Wu
Read original paper ↗ ·