US 11,776,667 B2
Composition tracking of mixed species in chemical processes
Ashley Hull, Bryan, TX (US); and Kevin Lunsford, Bryan, TX (US)
Assigned to Bryan Research & Engineering, Bryan, TX (US)
Filed by Bryan Research & Engineering, LLC, Bryan, TX (US)
Filed on Nov. 22, 2019, as Appl. No. 16/692,085.
Claims priority of provisional application 62/904,806, filed on Sep. 24, 2019.
Prior Publication US 2021/0089689 A1, Mar. 25, 2021
Int. Cl. G01N 33/48 (2006.01); G01N 33/50 (2006.01); G16C 20/90 (2019.01); G16C 20/10 (2019.01); G16C 20/30 (2019.01); G06F 111/10 (2020.01)
CPC G16C 20/90 (2019.02) [G16C 20/10 (2019.02); G16C 20/30 (2019.02); G06F 2111/10 (2020.01)] 20 Claims
 
1. A system for modeling of chemical processes comprising:
(1) a computer system comprising a data processing unit, and having access to at least one data storage device; and
(2) computer code in said computer system, said computer code comprising:
(a) means for evaluating chemical process models; each process model comprising one or more unit operations, one or more input streams into each unit operation, and one or more output streams from each unit operation; each of the streams comprising chemical composition data; each of the unit operations comprising one or more calculations transforming data from at least one of the streams connected thereto and accordingly updating data of at least one of the streams connected thereto;
(b) at least three layers: an external layer, a middle layer, and an internal layer; the external layer comprises mixed species, individual species, or both, as determined by a user; the middle layer comprises individual species duplicated by source; and the internal layer comprises only unique individual species;
(c) transformation objects to convert between the three layers;
(d) component-sensitive calculation rules directing each unit operation, or portion thereof, to operate on either the middle layer or internal layer; and
(e) calculation efficiency rules directing each unit operation, or portion thereof, to operate on either the middle layer or internal layer.