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.

Date of Patent:
Feb. 05, 2013

Filed:

Aug. 19, 2010
Applicants:

Chau-chyun Chen, Lexington, MA (US);

Yuhua Song, Somerville, MA (US);

Inventors:

Chau-Chyun Chen, Lexington, MA (US);

Yuhua Song, Somerville, MA (US);

Assignee:

Aspen Technology, Inc., Burlington, MA (US);

Attorney:
Primary Examiner:
Int. Cl.
CPC ...
G01N 33/48 (2006.01); G06G 7/48 (2006.01); G06G 7/58 (2006.01); G01N 31/00 (2006.01);
U.S. Cl.
CPC ...
Abstract

In the present invention the NonRandom Two-Liquid segment activity coefficient model system of the parent application is extended for computation of ionic activity coefficients and solubilities of electrolytes, organic and inorganic, in common solvents and solvent mixtures. The invention method and system may be applied to the chemical and/or pharmaceutical design process. In addition to the three types of molecular parameters defined for organic nonelectrolytes, i.e., hydrophobicity X, polarity Y, and hydrophilicity Z, an electrolyte parameter, E, is introduced to characterize both local and long-range ion-ion and ion-molecule interactions attributed to ionized segments of electrolytes. Successful representations of mean ionic activity coefficients and solubilities of electrolytes, inorganic and organic, in aqueous and nonaqueous solvents are presented.


Find Patent Forward Citations

Chen, Chau-Chyun. (2013). Computer method and system for predicting physical properties using a conceptual segment-based ionic activity coefficient model (U.S. Patent No. 8370076). U.S. Patent and Trademark Office. https://idiyas.com/patent/badge/8370076

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