Computer-aided Framework for Design of Pure, Mixed and Blended Products

Stefano Cignitti; Lei Zhang; Rafiqul Gani

doi:10.1016/B978-0-444-63576-1.50043-1

Computer-aided Framework for Design of Pure, Mixed and Blended Products

Stefano Cignitti
, Lei Zhang
, Rafiqul Gani

Department of Chemical and Biochemical Engineering

Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review

Abstract

This paper presents a framework for computer-aided design of pure, mixed and blended chemical based products. The framework is a systematic approach to convert a Computer-aided Molecular, Mixture and Blend Design (CAMbD) formulation, based on needs and target properties, into a mixed integer non-linear program (MINLP). TheMINLP is sequentially solved through a decomposed optimization approach to solve the possibly large MINLP in a smaller set of sub-problems. The framework application is highlighted through a solvent design case study.

Original language	English
Title of host publication	Proceedings of the 25th European Symposium on Computer Aided Process Engineering
Editors	Krist V. Gernaey, Jakob K. Huusom, Rafiqul Gani
Number of pages	6
Volume	37
Publisher	Elsevier
Publication date	2015
Pages	2093-2098
DOIs	https://doi.org/10.1016/B978-0-444-63576-1.50043-1
Publication status	Published - 2015
Event	25th European Symposium on Computer Aided Process Engineering : 12th International Symposium on Process Systems Engineering - Copenhagen, Denmark Duration: 31 May 2015 → 4 Jun 2015 http://www.pse2015escape25.dk/

Conference

Conference	25th European Symposium on Computer Aided Process Engineering
Country/Territory	Denmark
City	Copenhagen
Period	31/05/2015 → 04/06/2015
Internet address	http://www.pse2015escape25.dk/

Series	Computer Aided Chemical Engineering
ISSN	1570-7946

Keywords

Product Design
Mixture
Blend
CAMD
MINLP

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10.1016/B978-0-444-63576-1.50043-1

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title = "Computer-aided Framework for Design of Pure, Mixed and Blended Products",

abstract = "This paper presents a framework for computer-aided design of pure, mixed and blended chemical based products. The framework is a systematic approach to convert a Computer-aided Molecular, Mixture and Blend Design (CAMbD) formulation, based on needs and target properties, into a mixed integer non-linear program (MINLP). TheMINLP is sequentially solved through a decomposed optimization approach to solve the possibly large MINLP in a smaller set of sub-problems. The framework application is highlighted through a solvent design case study.",

keywords = "Product Design, Mixture, Blend, CAMD, MINLP",

author = "Stefano Cignitti and Lei Zhang and Rafiqul Gani",

year = "2015",

doi = "10.1016/B978-0-444-63576-1.50043-1",

language = "English",

volume = "37",

series = "Computer Aided Chemical Engineering",

publisher = "Elsevier",

pages = "2093--2098",

editor = "Gernaey, \{Krist V. \} and \{ Huusom\}, \{Jakob K.\} and Gani, \{ Rafiqul \}",

booktitle = "Proceedings of the 25th European Symposium on Computer Aided Process Engineering",

address = "United Kingdom",

note = "25th European Symposium on Computer Aided Process Engineering : 12th International Symposium on Process Systems Engineering, PSE2015/ESCAPE25 ; Conference date: 31-05-2015 Through 04-06-2015",

url = "http://www.pse2015escape25.dk/",

}

Cignitti, S, Zhang, L & Gani, R 2015, Computer-aided Framework for Design of Pure, Mixed and Blended Products. in KV Gernaey, JK Huusom & R Gani (eds), Proceedings of the 25th European Symposium on Computer Aided Process Engineering . vol. 37, Elsevier, Computer Aided Chemical Engineering, pp. 2093-2098, 25th European Symposium on Computer Aided Process Engineering , Copenhagen, Denmark, 31/05/2015. https://doi.org/10.1016/B978-0-444-63576-1.50043-1

Computer-aided Framework for Design of Pure, Mixed and Blended Products. / Cignitti, Stefano; Zhang, Lei; Gani, Rafiqul.
Proceedings of the 25th European Symposium on Computer Aided Process Engineering . ed. / Krist V. Gernaey; Jakob K. Huusom; Rafiqul Gani. Vol. 37 Elsevier, 2015. p. 2093-2098 (Computer Aided Chemical Engineering).

Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review

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AU - Zhang, Lei

AU - Gani, Rafiqul

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N2 - This paper presents a framework for computer-aided design of pure, mixed and blended chemical based products. The framework is a systematic approach to convert a Computer-aided Molecular, Mixture and Blend Design (CAMbD) formulation, based on needs and target properties, into a mixed integer non-linear program (MINLP). TheMINLP is sequentially solved through a decomposed optimization approach to solve the possibly large MINLP in a smaller set of sub-problems. The framework application is highlighted through a solvent design case study.

AB - This paper presents a framework for computer-aided design of pure, mixed and blended chemical based products. The framework is a systematic approach to convert a Computer-aided Molecular, Mixture and Blend Design (CAMbD) formulation, based on needs and target properties, into a mixed integer non-linear program (MINLP). TheMINLP is sequentially solved through a decomposed optimization approach to solve the possibly large MINLP in a smaller set of sub-problems. The framework application is highlighted through a solvent design case study.

KW - Product Design

KW - Mixture

KW - Blend

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KW - MINLP

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DO - 10.1016/B978-0-444-63576-1.50043-1

M3 - Article in proceedings

VL - 37

T3 - Computer Aided Chemical Engineering

SP - 2093

EP - 2098

BT - Proceedings of the 25th European Symposium on Computer Aided Process Engineering

A2 - Gernaey, Krist V.

A2 - Huusom, Jakob K.

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PB - Elsevier

T2 - 25th European Symposium on Computer Aided Process Engineering

Y2 - 31 May 2015 through 4 June 2015

ER -

Computer-aided Framework for Design of Pure, Mixed and Blended Products

Abstract

Conference

Keywords

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