Marcello Rigutto

Machine Learning-Based Predictions of Henry Coefficients for Long-Chain Alkanes in One-Dimensional Zeolites: Application to Hydroisomerization

Shrinjay Sharma, Ping Yang, Yachan Liu, Kevin Rossi, Peng Bai, Marcello S. Rigutto, Erik Zuidema, Umang Agarwal, Richard Baur, Sofia Calero, David Dubbeldam, Thijs J.H. Vlugt*

Second-order group contribution method for Tc, Pc, ω, ΔGf0, ΔHf0 and liquid densities of linear and branched alkanes

Ziyan Li, Leonidas Constantinou, Richard Baur, David Dubbeldam, Sofia Calero, Shrinjay Sharma, Marcello Rigutto, Poulumi Dey & Thijs. J. Vlugt

Computing Entropy for Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization

S. Sharma, R. Baur, M. Rigutto, E. Zuidema, U. Agarwal, S. Calero, D. Dubbeldam, and T.J.H. Vlugt

Prediction of Thermochemical Properties of Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization

S. Sharma, J. Sleijfer, J. op de Beek, S. van der Zeeuw, D. Zorzos, S. Lasala, M. Rigutto, E. Zuidema, U. Agarwal, R. Baur, S. Calero, D. Dubbeldam, T. Vlugt

Understanding shape selectivity effects of hydroisomerization using a reaction equilibrium model

S. Sharma, M.S. Rigutto, E. Zuidema, U. Agarwal, R. Baur, D. Dubbeldam, and T.J.H. Vlugt