US 11,776,667 B2Granted

Composition tracking of mixed species in chemical processes

AssigneeBryan Research & Engineering, Inc.

InventorsAshley Hull, Kevin Lunsford

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Abstract

Systems and methods of chemical process simulation providing improved methods and systems for expressing the composition of a stream in a chemical process model in a manner that is not immediately indicative of the underlying composition, providing for improved accuracy of allocation of a process output stream to the appropriate source(s), avoiding duplication of components or other inaccurate component representations in relation to critical calculations, and improving the operation of a computer or other computing system for performing chemical process modeling and simulation. The systems or methods provide for three distinct layers of interaction, separating mixed species displayed to the user from individual species used in calculations, while providing transformation objects between dataset layers to provide for accurate modeling, calculation, and display.

Claims20

Dependent claims

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.

13 more elements

A method for improving the operation of at least one computer during chemical process modeling, the method comprising:

(a) evaluating a chemical process model;
the 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) maintaining stream composition data in 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) applying component-sensitive calculation rules to direct each unit operation, or portion thereof, to operate on either the middle layer or internal layer;
(d) applying calculation efficiency rules directing each unit operation, or portion thereof, to operate on either the middle layer or internal layer;
and
(e) applying transformation objects to convert between the three layers as directed by rules, including the component-sensitive calculation rules and the calculation efficiency rules.

10 more elements

At least one non-transitory computer readable medium containing program instructions for causing a computer to perform a method for improving the operation of at least one computer during chemical process modeling, the method comprising:

(a) evaluating a chemical process model;
the 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) maintaining stream composition data in 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) applying component-sensitive calculation rules to direct each unit operation, or portion thereof, to operate on either the middle layer or internal layer;
(d) applying calculation efficiency rules directing each unit operation, or portion thereof, to operate on either the middle layer or internal layer;
and
(e) applying transformation objects to convert between the three layers as directed by rules, including the component-sensitive calculation rules and the calculation efficiency rules.

10 more elements

Dependencies are inferred from the claim text.

Facts

Application: 16/692,085Filed 22 Nov 2019 · us provisional application
Priority: 24 Sep 2019
Published: US 2021/0089689 A125 Mar 2021
Granted: 3 Oct 2023
Term ends: Not estimatedThe source records don’t support an estimate.

Classification11 codes

B01J 19/0033
Controlling or regulating processes: optimalisation processes, i.e. processes with adaptive control systems
G16C 20/90
Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds…
G05B 17/02
Systems involving the use of models or simulators of said systems: electric
G05B 23/0254
Model based detection method, e.g. first-principles knowledge model: based on a quantitative model, e.g. mathematical relationships between inputs…