Early-Stage Evaluation of Biorefinery Processing Pathways using Process Network Flux Analysis

With growing interest in the biomass value chain, a multitude of reactions are proposed in literature for the conversion of biomass into a variety of biofuels. In the early design stage, data for a detailed design is scarce rendering an in-depth analysis of all possibilities challenging. In this contribution, the screening methodology process network flux analysis (PNFA) is introduced assessing systematically the cost and energy performance of processing pathways. Based on the limited data available, a ranking of biorefinery pathways and a detection of bottlenecks is achieved by considering the reaction performance as well as the feasibility and energy demand of various separation strategies using thermodynamic sound shortcut models. PNFA is applied to a network of six gasoline biofuels from lignocellulosic biomass. While 2-butanol is ruled out due to a lack in yield and selectivity, iso-butanol and 2-butanone are identified as economically promising fuels beyond ethanol. Topical area: Process Systems Engineering. © 2016 American Institute of Chemical Engineers AIChE J, 62: 3096–3108, 2016

[1]  Stefan Pischinger,et al.  Tailor-made fuels for future engine concepts , 2016 .

[2]  Jean-Paul Lange,et al.  Fuels and Chemicals Manufacturing; Guidelines for Understanding and Minimizing the Production Costs , 2001 .

[3]  Stefan Pischinger,et al.  Analysis of the Effect of Bio-Fuels on the Combustion in a Downsized DI SI Engine , 2011 .

[4]  Prodromos Daoutidis,et al.  Language-oriented rule-based reaction network generation and analysis: Description of RING , 2012, Comput. Chem. Eng..

[5]  Rafiqul Gani,et al.  Applications of process synthesis: Moving from conventional chemical processes towards biorefinery processes , 2013, Comput. Chem. Eng..

[6]  Wei Qi,et al.  Conceptual process design: A systematic method to evaluate and develop renewable energy technologies , 2011 .

[7]  Jay H. Lee,et al.  Optimal processing pathway selection for microalgae-based biorefinery under uncertainty , 2015, Comput. Chem. Eng..

[8]  Mahmoud M. El-Halwagi,et al.  A shortcut method for the preliminary synthesis of process-technology pathways: An optimization approach and application for the conceptual design of integrated biorefineries , 2011, Comput. Chem. Eng..

[9]  R. Sargent,et al.  A general algorithm for short-term scheduling of batch operations */I , 1993 .

[10]  P. Daoutidis,et al.  Process synthesis of biorefineries: Optimization of biomass conversion to fuels and chemicals , 2014 .

[11]  J. M. Ponce-Ortega,et al.  Optimal Planning of a Biomass Conversion System Considering Economic and Environmental Aspects , 2011 .

[12]  Ignacio E. Grossmann,et al.  On the Systematic Synthesis of Sustainable Biorefineries , 2013 .

[13]  K. Joback,et al.  ESTIMATION OF PURE-COMPONENT PROPERTIES FROM GROUP-CONTRIBUTIONS , 1987 .

[14]  Mahmoud M. El-Halwagi,et al.  Synthesis of combined heat and reactive mass-exchange networks , 1994 .

[15]  Konrad Hungerbühler,et al.  Demonstrating multi-objective screening of chemical batch process alternatives during early design phases , 2010 .

[16]  Piotr Oleskowicz-Popiel,et al.  Technoeconomic analysis of biofuels: A wiki-based platform for lignocellulosic biorefineries , 2010 .

[17]  W. Marquardt,et al.  Efficient Optimization-Based Design of Distillation Columns for Homogenous Azeotropic Mixtures , 2006 .

[18]  Nikolaos V. Sahinidis,et al.  A polyhedral branch-and-cut approach to global optimization , 2005, Math. Program..

[19]  A. I. Torres,et al.  Engineering Biomass Conversion Processes: A Systems Perspective , 2013 .

[20]  James M. Douglas,et al.  A hierarchical decision procedure for process synthesis , 1985 .

[21]  Jorge A. Marrero,et al.  Group-contribution based estimation of pure component properties , 2001 .

[22]  Krist V. Gernaey,et al.  Uncertainties in Early-Stage Capital Cost Estimation of Process Design – A Case Study on Biorefinery Design , 2015, Front. Energy Res..

[23]  L. Lynd,et al.  Energy, sugar dilution, and economic analysis of hot water flow‐through pre‐treatment for producing biofuel from sugarcane residues , 2015 .

[24]  George Stephanopoulos,et al.  A Novel Approach for the Identification of Economic Opportunities within the Framework of a Biorefinery , 2015 .

[25]  B. G. Hermann,et al.  Today’s and tomorrow’s bio-based bulk chemicals from white biotechnology , 2007, Applied biochemistry and biotechnology.

[26]  François Maréchal,et al.  Co-production of hydrogen and electricity from lignocellulosic biomass: Process design and thermo-economic optimization , 2012 .

[27]  Wei Yuan,et al.  Optimal biorefinery product allocation by combining process and economic modeling , 2008 .

[28]  Rafiqul Gani,et al.  SEPARATION PROCESS DESIGN AND SYNTHESIS BASED ON THERMODYNAMIC INSIGHTS , 1995 .

[29]  Ignacio E. Grossmann,et al.  Multi-period synthesis of optimally integrated biomass and bioenergy supply network , 2014, Comput. Chem. Eng..

[30]  Fengqi You,et al.  Sustainable design and synthesis of hydrocarbon biorefinery via gasification pathway: Integrated life cycle assessment and technoeconomic analysis with multiobjective superstructure optimization , 2013, Comput. Chem. Eng..

[31]  I. Grossmann,et al.  A systematic modeling framework of superstructure optimization in process synthesis , 1999 .

[32]  Wolfgang Marquardt,et al.  A Novel Group Contribution Method for the Prediction of the Derived Cetane Number of Oxygenated Hydrocarbons , 2015 .

[33]  Avelino Corma,et al.  Conversion of biomass platform molecules into fuel additives and liquid hydrocarbon fuels , 2014 .

[34]  Onur Onel,et al.  Coproduction of liquid transportation fuels and C6_C8 aromatics from biomass and natural gas , 2015 .

[35]  J. Lange Lignocellulose conversion: an introduction to chemistry, process and economics , 2007 .

[36]  Rafiqul Gani,et al.  An integrated computer aided system for integrated design of chemical processes , 1997 .

[37]  Andrea Ramírez,et al.  Early sustainability assessment for potential configurations of integrated biorefineries. Screening of bio‐based derivatives from platform chemicals , 2015 .

[38]  Antonis C. Kokossis,et al.  Design of integrated biorefineries , 2015, Comput. Chem. Eng..

[39]  Oliver Richard Inderwildi,et al.  Liquid fuels, hydrogen and chemicals from lignin: A critical review , 2013 .

[40]  G. McRae,et al.  Parametric optimization of MILP programs and a framework for the parametric optimization of MINLPs , 1998 .

[41]  Wolfgang Marquardt,et al.  The biorenewables opportunity ‐ toward next generation process and product systems , 2010 .

[42]  A. Corma,et al.  Synthesis of transportation fuels from biomass: chemistry, catalysts, and engineering. , 2006, Chemical reviews.

[43]  Mahmoud M. El-Halwagi,et al.  Process synthesis and optimization of biorefinery configurations , 2012 .

[44]  Efstratios N. Pistikopoulos,et al.  Generalized modular representation framework for process synthesis , 1996 .

[45]  Philip Lutze,et al.  Conceptual Design of Flowsheet Options Based on Thermodynamic Insights for (Reaction−)Separation Processes Applying Process Intensification , 2014 .

[46]  Wolfgang Marquardt,et al.  Reaction network flux analysis: Optimization‐based evaluation of reaction pathways for biorenewables processing , 2012 .

[47]  Prodromos Daoutidis,et al.  Language-oriented rule-based reaction network generation and analysis: Algorithms of RING , 2014, Comput. Chem. Eng..

[48]  K. Gernaey,et al.  Toward a Computer-Aided Synthesis and Design of Biorefinery Networks: Data Collection and Management Using a Generic Modeling Approach , 2014 .

[49]  Konrad Hungerbühler,et al.  Evaluation of EHS hazard and sustainability metrics during early process design stages using principal component analysis , 2012 .

[50]  Leland M. Vane,et al.  Separation technologies for the recovery and dehydration of alcohols from fermentation broths , 2008 .

[51]  Denny K. S. Ng,et al.  Systematic approach for conceptual design of an integrated biorefinery with uncertainties , 2013, Clean Technologies and Environmental Policy.

[52]  Wolfgang Marquardt,et al.  Shortcut methods for nonideal multicomponent distillation: 2. Complex columns , 1998 .

[53]  Joseph J. Bozell,et al.  Technology development for the production of biobased products from biorefinery carbohydrates—the US Department of Energy’s “Top 10” revisited , 2010 .

[54]  Wolfgang Marquardt,et al.  Shortcut-based design of multicomponent heteroazeotropic distillation , 2011 .

[55]  Christos T. Maravelias,et al.  An optimization-based assessment framework for biomass-to-fuel conversion strategies , 2013 .

[56]  Gürkan Sin,et al.  Systematic network synthesis and design: Problem formulation, superstructure generation, data management and solution , 2015, Comput. Chem. Eng..

[57]  F. You,et al.  Optimal design of sustainable cellulosic biofuel supply chains: Multiobjective optimization coupled with life cycle assessment and input–output analysis , 2012 .

[58]  Rafiqul Gani,et al.  Optimal design of a multi-product biorefinery system , 2011, Comput. Chem. Eng..

[59]  B Bertók,et al.  Review of methods for catalytic reaction-pathway identification at steady state , 2013 .

[60]  Wei Chu,et al.  Correction to Retracted Article: Monodisperse CuB23 nanoparticles grown on graphene as highly efficient catalysts for unactivated alkyl halide Heck coupling and levulinic acid hydrogenation , 2015, Catalysis Science & Technology.

[61]  Denny K. S. Ng,et al.  Synthesis of sustainable integrated biorefinery via reaction pathway synthesis: Economic, incremental enviromental burden and energy assessment with multiobjective optimization , 2015 .

[62]  Mahmoud M. El-Halwagi,et al.  Synthesis of mass exchange networks , 1989 .

[63]  Prodromos Daoutidis,et al.  Identification and analysis of synthesis routes in complex catalytic reaction networks for biomass upgrading , 2014 .

[64]  W. A. Marvin,et al.  Biorefinery location and technology selection through supply chain optimization , 2013 .

[65]  Wolfgang Marquardt,et al.  Conceptual design of distillation-based hybrid separation processes. , 2013, Annual review of chemical and biomolecular engineering.