Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Sydnee N. Roese"'
Publikováno v:
ChemEngineering, Vol 7, Iss 2, p 25 (2023)
Tools to predict vapor–liquid phase equilibria are indispensable for the conceptualization and design of separation processes. Modified separation of cohesive energy density (MOSCED) is a solubility-parameter-based method parameterized to make accu
Externí odkaz:
https://doaj.org/article/41f98deab65c4372acef4e9caa9c6443
Autor:
Andrew S. Paluch, Alexa J. Schmidt, Cole B. Uzat, Justin D. Heintz, Sydnee N. Roese, Griffin V. Margulis
Publikováno v:
Industrial & Engineering Chemistry Research. 58:22626-22632
Simple expressions are presented to determine if a binary system will exhibit a minimum or maximum boiling azeotrope using conventional free energy calculations using molecular simulation or electr...
Autor:
Griffin V. Margulis, Alexa J. Schmidt, Justin D. Heintz, Cole B. Uzat, Andrew S. Paluch, Spencer J. Sabatino, Sydnee N. Roese
Publikováno v:
Processes, Vol 8, Iss 623, p 623 (2020)
Processes
Volume 8
Issue 5
Processes
Volume 8
Issue 5
The SMx (x = 12, 8, or D) universal solvent models are implicit solvent models which using electronic structure calculations can compute solvation free energies at 298.15 K. While solvation free energy is an important thermophysical property, within
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cecfff2bf4473f4ed7f05f26fbbb28fe
https://doi.org/10.26434/chemrxiv.12104058.v2
https://doi.org/10.26434/chemrxiv.12104058.v2
Publikováno v:
Fluid Phase Equilibria. 470:232-240
The MOdified Separation of Cohesive Energy Density (MOSCED) is a solubility parameter based method that can both quantitatively predict limiting activity coefficients and can additionally be used to qualitatively understand the underlying molecular-l
Publikováno v:
Journal of Chemical & Engineering Data. 63:2586-2598
The modified separation of cohesive energy density (MOSCED) is a powerful tool for early stage process conceptualization and design. It is capable of making quantitative phase-equilibrium calculations, and more importantly may be used to qualitativel
Publikováno v:
Journal of Chemical & Engineering Data. 63:352-364
Modified Separation of Cohesive Energy Density (MOSCED) is a solubility parameter-based method to predict limiting activity coefficients. In addition to making quantitative predictions, MOSCED may additionally be used to understand the underlying mol
Publikováno v:
Journal of Molecular Liquids. 293:111552
Solubility parameter based methods have long been valuable design tools due to their ability to make both quantitative predictions and to shed insight into the underlying intermolecular interactions. The use of MOSCED (modified separation of cohesive