Systematic Optimization-Based Integrated Chemical Product–Process Design Framework

Stefano Cignitti*, Seyed Soheil Mansouri, John M. Woodley, Jens Abildskov

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

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Abstract

An integrated optimization-based framework for product and process design is proposed. The framework uses a set of methods and tools to obtain the optimal product–process design solution given a set of economic and environmental sustainability targets. The methods and tools required are property prediction through group contributions, unless supported with a database, computer-aided molecular and mixture/blend design for generation of novel as well as existing products and mathematical programming for formulating and solving multiscale integrated process–product design problems. The application of the framework is demonstrated through three case studies: (i) refrigeration cycle unit for R134a replacement, (ii) a mixed working fluid design problem for R134a replacement, and (iii) pure solvent design for water-acetic acid LLE extraction. Through the application of the framework it is demonstrated that all solutions satisfy product, process, economic, and environmental targets simultaneously. The solution is obtained through a direct deterministic mathematical optimization strategy. The framework proposed in this work is generic and can be applied to a wide range of problems where an integrated solution to process-product design is beneficial.
Original languageEnglish
JournalIndustrial & Engineering Chemistry Research
Volume57
Issue number2
Pages (from-to)677–688
ISSN0888-5885
DOIs
Publication statusPublished - 2018

Cite this

@article{fcdb84e5b34f4477b817dd21d6c4e1cd,
title = "Systematic Optimization-Based Integrated Chemical Product–Process Design Framework",
abstract = "An integrated optimization-based framework for product and process design is proposed. The framework uses a set of methods and tools to obtain the optimal product–process design solution given a set of economic and environmental sustainability targets. The methods and tools required are property prediction through group contributions, unless supported with a database, computer-aided molecular and mixture/blend design for generation of novel as well as existing products and mathematical programming for formulating and solving multiscale integrated process–product design problems. The application of the framework is demonstrated through three case studies: (i) refrigeration cycle unit for R134a replacement, (ii) a mixed working fluid design problem for R134a replacement, and (iii) pure solvent design for water-acetic acid LLE extraction. Through the application of the framework it is demonstrated that all solutions satisfy product, process, economic, and environmental targets simultaneously. The solution is obtained through a direct deterministic mathematical optimization strategy. The framework proposed in this work is generic and can be applied to a wide range of problems where an integrated solution to process-product design is beneficial.",
author = "Stefano Cignitti and Mansouri, {Seyed Soheil} and Woodley, {John M.} and Jens Abildskov",
year = "2018",
doi = "10.1021/acs.iecr.7b04216",
language = "English",
volume = "57",
pages = "677–688",
journal = "Industrial & Engineering Chemistry Research",
issn = "0888-5885",
publisher = "American Chemical Society",
number = "2",

}

Systematic Optimization-Based Integrated Chemical Product–Process Design Framework. / Cignitti, Stefano; Mansouri, Seyed Soheil; Woodley, John M.; Abildskov, Jens.

In: Industrial & Engineering Chemistry Research, Vol. 57, No. 2, 2018, p. 677–688.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Systematic Optimization-Based Integrated Chemical Product–Process Design Framework

AU - Cignitti, Stefano

AU - Mansouri, Seyed Soheil

AU - Woodley, John M.

AU - Abildskov, Jens

PY - 2018

Y1 - 2018

N2 - An integrated optimization-based framework for product and process design is proposed. The framework uses a set of methods and tools to obtain the optimal product–process design solution given a set of economic and environmental sustainability targets. The methods and tools required are property prediction through group contributions, unless supported with a database, computer-aided molecular and mixture/blend design for generation of novel as well as existing products and mathematical programming for formulating and solving multiscale integrated process–product design problems. The application of the framework is demonstrated through three case studies: (i) refrigeration cycle unit for R134a replacement, (ii) a mixed working fluid design problem for R134a replacement, and (iii) pure solvent design for water-acetic acid LLE extraction. Through the application of the framework it is demonstrated that all solutions satisfy product, process, economic, and environmental targets simultaneously. The solution is obtained through a direct deterministic mathematical optimization strategy. The framework proposed in this work is generic and can be applied to a wide range of problems where an integrated solution to process-product design is beneficial.

AB - An integrated optimization-based framework for product and process design is proposed. The framework uses a set of methods and tools to obtain the optimal product–process design solution given a set of economic and environmental sustainability targets. The methods and tools required are property prediction through group contributions, unless supported with a database, computer-aided molecular and mixture/blend design for generation of novel as well as existing products and mathematical programming for formulating and solving multiscale integrated process–product design problems. The application of the framework is demonstrated through three case studies: (i) refrigeration cycle unit for R134a replacement, (ii) a mixed working fluid design problem for R134a replacement, and (iii) pure solvent design for water-acetic acid LLE extraction. Through the application of the framework it is demonstrated that all solutions satisfy product, process, economic, and environmental targets simultaneously. The solution is obtained through a direct deterministic mathematical optimization strategy. The framework proposed in this work is generic and can be applied to a wide range of problems where an integrated solution to process-product design is beneficial.

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DO - 10.1021/acs.iecr.7b04216

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JO - Industrial & Engineering Chemistry Research

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SN - 0888-5885

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