Auteur J. Richard Elliott
Documents disponibles écrits par cet auteur (5)
Affiner la recherche
Article : texte imprimé
Paul M. Mathias, Auteur ; J. Richard Elliott, Auteur ; Andreas Klamt, Auteur |The classical problem of 1,3-butadiene recovery from steam cracker C4 hydrocarbons is reconsidered using modern tools of quantum mechanics and molecular simulation. The effectiveness of N,N-dimethylformamide (DMF) and acetonitrile (ACN) to act a[...]
Article : texte imprimé
Amir Vahid, Auteur ; Amanda D. Sans, Auteur ; J. Richard Elliott, Auteur |The present work examines the accuracy of the SPEADMD molecular simulation methodology in correlating experimental data relative to a standard low-pressure database for testing VLE models. The database contains 104 binary systems categorized acc[...]
Article : texte imprimé
Fateme Sadat Emami, Auteur ; Amir Vahid, Auteur ; J. Richard Elliott, Auteur |The group contribution methodology developed by Elliott and Natarajan has been extended to the statistical associating fluid theory (SAFT) and perturbed-chain statistical associating fluid theory (PC-SAFT) equations of state (EOS). Thermodynamic[...]
Article : texte imprimé
Sinan Ucyigitler, Auteur ; Mehmet C. Camurdan, Auteur ; J. Richard Elliott, Auteur |Discontinuous molecular dynamics (DMD) simulation and thermodynamic perturbation theory (TPT) have been used to study thermodynamic properties for organic compounds. The aim is to infer transferable intermolecular potential models based on corre[...]
Article : texte imprimé
Z. Nevin Gerek, Auteur ; J. Richard Elliott, Auteur |Reference fluid simulations are combined with a mean field correction for attractive effects to achieve a correlation for diffusivity of unentangled species over a wide range of density, temperature, and molecular weight. Reference fluids are co[...]
