A generic methodology for processing route synthesis and design based on superstructure optimization

Bertran, Maria-Ona; Frauzem, Rebecca; Sanchez-Arcilla, Ana-Sofia; Zhang, Lei; Woodley, John M.; Gani, Rafiqul

doi:10.1016/j.compchemeng.2017.01.030

Cited by 126 publications

(85 citation statements)

References 32 publications

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“…Also, there exist only limited industrial application cases, like the CO 2 -based methanol plants in Iran (Aasberg-Petersen et al, 2008), Qatar (Al-Hitmi, 2012) and Iceland (Carbon Recycling International, 2016). Some of the useful products that can be obtained by converting CO 2 have been studied recently by Roh, et al 2016ab andBertran, et al 2017. Industrially, conversion processes have been used for the production of urea and certain carbonates (Mikkelsen, 2010). However, the development of this technology to other products is relatively limited; methanol production is the most mature technology.…”

Section: Conversion Technologiesmentioning

confidence: 99%

“…Process systems engineering (PSE) has evolved into becoming a field of chemical engineering, that can provide systematic methods and tools for sustainable and innovative synthesis-design of chemical and biochemical processes. Different solution approaches may be applied to determine sustainable process designs: hierarchical methods based on heuristics (Klemes, et al 2013); mathematical optimization methods (Chen and Grossmann, 2017); hybrid-integrated methods based on process intensification (Babi, et al 2015), based on superstructure optimization of biorefinery (Bertran, et al 2017), and, CO 2 capture-utilization (Frauzem, et al 2017). Figure 8 shows different levels of boundaries that have to be considered in process design to analyze the sustainability at every stage.…”

Section: Sustainable Chemical Process Designmentioning

confidence: 99%

See 1 more Smart Citation

Sustainable chemical processing and energy-carbon dioxide management: Review of challenges and opportunities

Vooradi

Bertran

Frauzem

et al. 2018

Chemical Engineering Research and Design

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Section: Conversion Technologiesmentioning

confidence: 99%

Section: Sustainable Chemical Process Designmentioning

confidence: 99%

Sustainable chemical processing and energy-carbon dioxide management: Review of challenges and opportunities

Vooradi

Bertran

Frauzem

et al. 2018

Chemical Engineering Research and Design

Self Cite

View full text Add to dashboard Cite

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“…In the field of process systems engineering (PSE), superstructures that consider various alternatives simultaneously have been studied. Prominent examples include the flowsheet superstructure [29], state-task and state-equipment networks [30,31], stepwise superstructure [32], and the processing step-interval network [33]. However, the application of these otherwise useful techniques for pharmaceutical manufacturing processes is still limited.…”

Section: Introductionmentioning

confidence: 99%

Superstructure-based process synthesis and economic assessment under uncertainty for solid drug product manufacturing

et al. 2020

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This paper presents a new method for process synthesis and economic assessment for solid drug product manufacturing, considering continuous manufacturing as a prominent process alternative. Of the three phases of drug development, phase II was targeted where the dosage form, formulation, and processing technology are determined. For a comprehensive alternative generation, a superstructure was developed that covered 9452 options for the unit level, which was combined with two options on the formulation strategy. The generated alternative was assessed by a net present value calculation model, which was adapted for dynamic cash flow consideration in the drug lifecycle. The model can incorporate uncertainty in the drug development and manufacturing in the result, and can perform global sensitivity analysis by Monte Carlo simulation. The method was demonstrated in a case study where two different scenarios regarding the price of the active pharmaceutical ingredient and the demand for the product were assumed. The results showed that when the demand and price are both low, the labor-related costs are dominant, and in the opposite case, the material-related costs become relevant. We also introduce the prototype version of the software "SoliDecision," by which the presented method was implemented for industrial application.

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“…Such equation-oriented modeling is becoming progressively more common [5], with differential equations used to describe temporal and spatial dynamics. For process design problems, postulation of alternatives is also an important consideration, with several approaches described in literature [6][7][8][9][10][11][12][13][14][15]. However, even with the growth of more complex models, there has been limited emphasis on the link between algebraic relationships and model logic.…”

Section: Introductionmentioning

confidence: 99%

Modern Modeling Paradigms Using Generalized Disjunctive Programming

Chen

Grossmann

2019

Processes

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Models involving decision variables in both discrete and continuous domain spaces are prevalent in process design. Generalized Disjunctive Programming (GDP) has emerged as a modeling framework to explicitly represent the relationship between algebraic descriptions and the logical structure of a design problem. However, fewer formulation examples exist for GDP compared to the traditional Mixed-Integer Nonlinear Programming (MINLP) modeling approach. In this paper, we propose the use of GDP as a modeling tool to organize model variants that arise due to characterization of different sections of an end-to-end process at different detail levels. We present an illustrative case study to demonstrate GDP usage for the generation of model variants catered to process synthesis integrated with purchasing and sales decisions in a techno-economic analysis. We also show how this GDP model can be used as part of a hierarchical decomposition scheme. These examples demonstrate how GDP can serve as a useful model abstraction layer for simplifying model development and upkeep, in addition to its traditional usage as a platform for advanced solution strategies.

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A generic methodology for processing route synthesis and design based on superstructure optimization

Cited by 126 publications

References 32 publications

Sustainable chemical processing and energy-carbon dioxide management: Review of challenges and opportunities

Sustainable chemical processing and energy-carbon dioxide management: Review of challenges and opportunities

Superstructure-based process synthesis and economic assessment under uncertainty for solid drug product manufacturing

Modern Modeling Paradigms Using Generalized Disjunctive Programming

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