upward

Modeling

A Obliger, C Bousige, B Coasne, J Leyssale, Development of Atomistic Kerogen Models and Their Applications for Gas Adsorption and Diffusion: A Mini-Review, Energy Fuels 37, 1678 (2023)

M A Raja, Y Zhao, X Zhang, C Li, S Zhang, Practices for modeling oil shale pyrolysis and kinetics, Rev Chem Eng 34, 21 (2017)


L Atmani, C Bichara, R Pellenq, H van Damme, A van Duin, Z Raza, L Truflandier, A Obliger, P Kralert, F Ulmac, J M Leyssale, From cellulose to kerogen: molecular simulation of a geological process, Chem Sci 8, 8325 (2017)

C Bousige, C Ghimbeu, C Vix-Guterl, A Pomerantz, A Suleimenova, G Vaughan, G Garbarino, M Feygenson, C Wildgruber, F Ulm, R Pellenq, B Coasne, Realistic molecular model of kerogen's nanostructure, Nat Mater 15, 576 (2016)

C C Walters, H Freund, S R Kelemen, P Peczak, D J Curry, Predicting oil and gas compositional yields via chemical structure-chemical yield modeling (CS-CYM): Part 2 - Application under laboratory and geologic conditions, Organic Geochemistry 38, 306 (2007)

H Freund, C C Walters, S R Kelemen, M Siskin, M L Gorbaty, D J Curry, A E Bence, Predicting oil and gas compositional yields via chemical structure-chemical yield modeling (CS-CYM): Part 1 - Concepts and implementation, Organic Geochemistry 38, 288 (2007)