TY - JOUR
T1 - A superstructure optimization approach for process synthesis under complex reaction networks
AU - Madenoor Ramapriya, Gautham
AU - Won, Wangyun
AU - Maravelias, Christos T.
N1 - Funding Information:
The Department of Energy (DOE) is gratefully acknowledged for partial support under Grant DE-EE0006287 of the Bioenergy Technology Office CHASE Program. This work was also funded in part by the DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science DE-SC0018409). Finally, we thank Prof. Daniel Resasco, Prof. Steven Crossley, and Tuoung Bui of the University of Oklahoma for useful discussions on biomass upgrading chemistries.
Publisher Copyright:
© 2018 Institution of Chemical Engineers
PY - 2018/9
Y1 - 2018/9
N2 - In this work, we present mixed integer linear programming methods for the synthesis of processes that involve complex reaction networks. Specifically, we consider the modeling of reactors and interconnecting streams in systems where the composition of the reactor inlet streams can vary substantially, thereby making the determination of the limiting component as well as the calculation of the stream heating/cooling and power requirements challenging. First, towards the modeling of reactors, we develop an extent-based method which detects the limiting reactant of each reaction occurring in parallel with others, based on the inlet flows of the reactants. Second, we develop a computationally tractable method for the calculation of the work and heating/cooling duty needed to condition any stream of a process based on simple calculations that can be performed offline. Finally, we present how the two aforementioned components can be integrated in an optimization model generated based on a process superstructure. We demonstrate the application of the developed methods for the synthesis of a biorefinery.
AB - In this work, we present mixed integer linear programming methods for the synthesis of processes that involve complex reaction networks. Specifically, we consider the modeling of reactors and interconnecting streams in systems where the composition of the reactor inlet streams can vary substantially, thereby making the determination of the limiting component as well as the calculation of the stream heating/cooling and power requirements challenging. First, towards the modeling of reactors, we develop an extent-based method which detects the limiting reactant of each reaction occurring in parallel with others, based on the inlet flows of the reactants. Second, we develop a computationally tractable method for the calculation of the work and heating/cooling duty needed to condition any stream of a process based on simple calculations that can be performed offline. Finally, we present how the two aforementioned components can be integrated in an optimization model generated based on a process superstructure. We demonstrate the application of the developed methods for the synthesis of a biorefinery.
KW - Biofuels
KW - Mixed-integer programming
KW - Process systems engineering
KW - Reactor network synthesis
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U2 - 10.1016/j.cherd.2018.07.015
DO - 10.1016/j.cherd.2018.07.015
M3 - Article
AN - SCOPUS:85052660556
SN - 0263-8762
VL - 137
SP - 589
EP - 608
JO - Chemical Engineering Research and Design
JF - Chemical Engineering Research and Design
ER -