The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.
The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.
Patent No.:
Date of Patent:
Feb. 25, 2014
Filed:
Oct. 12, 2011
Applicants:
Shu Wang, Acton, MA (US);
Yuhua Song, Somerville, MA (US);
Chau-chyun Chen, Lexington, MA (US);
Inventors:
Assignee:
Aspen Technology, Inc., Burlington, MA (US);
Primary Examiner:
Int. Cl.
CPC ...
G06G 7/58 (2006.01);
U.S. Cl.
CPC ...
Abstract
An extension of COSMO-SAC to electrolytes (eCOSMO-SAC) combines the COSMO-SAC term for short range molecule-molecule, molecule-ion and ion-ion interactions with the extended symmetric Pitzer-Debye-Hückel term for long range ion-ion interactions. The extension recognizes that like-ion repulsion and local electroneutrality govern the surface segment contacts, and introduces a dual sigma profile concept for electrolyte systems. The eCOSMO-SAC formulation predicts activity coefficients of several representative electrolyte systems.