Title: Accelerating manufacturing for biomass conversion via integrated process and bench digitalization: a perspective

Journal Article · · Reaction Chemistry & Engineering
DOI: https://doi.org/10.1039/d1re00560j · OSTI ID:1978823
 [1]; ORCiD logo [2];  [2];  [2];  [3]; ORCiD logo [3]
  1. University of Delaware, Newark, DE (United States); OSTI
  2. University of Delaware, Newark, DE (United States)
  3. University of Delaware, Newark, DE (United States); RAPID Manufacturing Institute, and Delaware Energy Institute, Newark, DE (United States)

We present a perspective for accelerating biomass manufacturing via digitalization. We summarize the challenges for manufacturing and identify areas where digitalization can help. A profound potential in using lignocellulosic biomass and renewable feedstocks, in general, is to produce new molecules and products with unmatched properties that have no analog in traditional refineries. Discovering such performance-advantaged molecules and the paths and processes to make them rapidly and systematically can transform manufacturing practices. Furthermore, we discuss retrosynthetic approaches, text mining, natural language processing, and modern machine learning methods to enable digitalization. Laboratory and multiscale computation automation via active learning are crucial to complement existing literature and expedite discovery and valuable data collection without a human in the loop. Such data can help process simulation and optimization select the most promising processes and molecules according to economic, environmental, and societal metrics. We propose the close integration between bench and process scale models and data to exploit the low dimensionality of the data and transform the manufacturing for renewable feedstocks.

Research Organization:
American Institute of Chemical Engineers (AIChE), New York, NY (United States); University of Delaware, Newark, DE (United States)
Sponsoring Organization:
National Science Foundation (NSF); USDOE; USDOE Office of Energy Efficiency and Renewable Energy (EERE)
Grant/Contract Number:
EE0007888; SC0001004
OSTI ID:
1978823
Journal Information:
Reaction Chemistry & Engineering, Journal Name: Reaction Chemistry & Engineering Journal Issue: 4 Vol. 7; ISSN RCEEBW; ISSN 2058-9883
Publisher:
Royal Society of ChemistryCopyright Statement
Country of Publication:
United States
Language:
English

References (131)

Global superstructure optimization for the design of integrated process water networks journal January 2011
Energy optimization of bioethanol production via gasification of switchgrass journal February 2011
Process synthesis and optimization of biorefinery configurations journal June 2011
Global optimization for sustainable design and synthesis of algae processing network for CO 2 mitigation and biofuel production using life cycle optimization journal June 2014
Synthesis of sustainable integrated biorefinery via reaction pathway synthesis: Economic, incremental enviromental burden and energy assessment with multiobjective optimization journal September 2014
A hierarchical method to integrated solvent and process design of physical CO 2 absorption using the SAFT ‐γ M ie approach journal May 2015
A multiobjective optimization framework for design of integrated biorefineries under uncertainty journal May 2015
Integrating compressors into heat exchanger networks above ambient temperature journal September 2015
Synthesis of heat exchanger networks: I. Systematic generation of energy optimal networks journal July 1978
A hierarchical decision procedure for process synthesis journal March 1985
A group contribution approach to computer-aided molecular design journal September 1991
Design of alternative refrigerants via global optimization journal July 2003
Production of Renewable Aromatic Compounds by Catalytic Fast Pyrolysis of Lignocellulosic Biomass with Bifunctional Ga/ZSM-5 Catalysts journal December 2011
Organic Synthesis: March of the Machines journal January 2015
The Molecular Industrial Revolution: Automated Synthesis of Small Molecules journal March 2018
Separation technologies for the recovery and dehydration of alcohols from fermentation broths journal November 2008
Design, implementation, and evaluation of sustainable bioenergy production systems journal June 2014
Renewable p -Xylene from 2,5-Dimethylfuran and Ethylene Using Phosphorus-Containing Zeolite Catalysts journal January 2017
Catalytic Transformation of Biomass Derivatives to Value‐Added Chemicals and Fuels in Continuous Flow Microreactors journal August 2019
Modelling Chemical Reasoning to Predict and Invent Reactions journal January 2017
Branched Bio‐Lubricant Base Oil Production through Aldol Condensation journal September 2019
Biorefinery sustainability assessment
  • Schaidle, Joshua A.; Moline, Christopher J.; Savage, Phillip E.
  • Environmental Progress & Sustainable Energy, Vol. 30, Issue 4 https://doi.org/10.1002/ep.10516
journal November 2010
Multi-objective optimization of process cogeneration systems with economic, environmental, and social tradeoffs journal June 2012
Simultaneous optimization models for heat integration—III. Process and heat exchanger network optimization journal November 1990
Solubility and viscosity of refrigerant/lubricant mixtures: hydrofluorocarbon/alkylbenzene systems journal December 2002
Cheminformatics – decision making in drug discovery journal September 2002
Design strategies for sustainable biorefineries journal December 2016
Simulation of biomass gasification in fluidized bed reactor using ASPEN PLUS journal December 2008
A novel process simulation model (PSM) for anaerobic digestion using Aspen Plus journal September 2014
Comparative techno-economic assessment and LCA of selected integrated sugarcane-based biorefineries journal November 2015
Quantifying the sensitivity of feedstock properties and process conditions on hydrochar yield, carbon content, and energy content journal August 2018
Economic and social assessment of biorefineries: The case of Coffee Cut-Stems (CCS) in Colombia journal February 2020
Conceptual process synthesis: past and current trends journal May 2004
Experimental determination by principal component analysis of a reaction pathway of biohydrogen production by anaerobic fermentation journal October 2008
Influence of wall friction on flow regimes and scale-up of counter-current swirl spray dryers journal September 2015
A framework for the integration of solvent and process design with controllability assessment journal February 2017
Designing optimal mixtures using generalized disjunctive programming: Hull relaxations journal February 2017
Computer-aided molecular design: An introduction and review of tools, applications, and solution techniques journal December 2016
Bio-waste selection and blending for the optimal production of power and fuels via anaerobic digestion journal May 2017
Forty years of Heat Integration: Pinch Analysis (PA) and Mathematical Programming (MP) journal November 2013
Chemical product design – recent advances and perspectives journal March 2020
Optimization under uncertainty: state-of-the-art and opportunities journal June 2004
Perspectives for process systems engineering—Personal views from academia and industry journal March 2009
On the use of systems technologies and a systematic approach for the synthesis and the design of future biorefineries journal September 2010
Optimal design of a multi-product biorefinery system journal September 2011
A framework for model-based optimization of bioprocesses under uncertainty: Lignocellulosic ethanol production case journal July 2012
Process systems engineering studies for the synthesis of catalytic biomass-to-fuels strategies journal October 2015
Process synthesis, design and analysis using a process-group contribution method journal October 2015
Optimal processing pathway selection for microalgae-based biorefinery under uncertainty journal November 2015
Recent advances in mathematical programming techniques for the optimization of process systems under uncertainty journal August 2016
Models and computational strategies for multistage stochastic programming under endogenous and exogenous uncertainties journal August 2017
Syntheses of sustainable supply networks with a new composite criterion – Sustainability profit journal July 2017
A generic methodology for processing route synthesis and design based on superstructure optimization journal November 2017
Optimization formulations for multi-product supply chain networks journal September 2017
Advances in surrogate based modeling, feasibility analysis, and optimization: A review journal January 2018
A Total Site Synthesis approach for the selection, integration and planning of multiple-feedstock biorefineries journal March 2019
An integral methodological approach for biorefineries design: Study case of Colombian coffee cut-stems journal July 2019
A comparative study of multi-objective optimization methodologies for molecular and process design journal May 2020
A review on superstructure optimization approaches in process system engineering journal May 2020
Simultaneous optimization of the design of the product, process, and supply chain for formulated product journal September 2021
Integrating waste and renewable energy to reduce the carbon footprint of locally integrated energy sectors journal October 2008
RePSIM metric for design of sustainable renewable based fuel and power production processes journal November 2016
Hydrogen production from pine and poplar bio-oils by catalytic steam reforming. Influence of the bio-oil composition on the process journal May 2015
Allocation in LCAs of biorefinery products: implications for results and decision-making journal April 2015
Multi-objective target oriented robust optimization for the design of an integrated biorefinery journal January 2018
Partial least squares modeling and analysis of furfural production from biomass-derived xylose over solid acid catalysts journal January 2015
Supervised Process of Un-structured Data Analysis for Knowledge Chaining journal January 2016
Fast pyrolysis characteristics of lignocellulosic biomass with varying reaction conditions journal June 2012
Multi-objective optimization of waste and resource management in industrial networks – Part II: Model application to the treatment of sewage sludge journal August 2014
A review of sustainability indicators for biobased chemicals journal October 2018
New directions in the implementation of Pinch Methodology (PM) journal December 2018
The potential use of lignin as a platform product in biorefineries: A review journal March 2021
The Evolution of Chemical High-Throughput Experimentation To Address Challenging Problems in Pharmaceutical Synthesis journal November 2017
Multiobjective Modular Biorefinery Configuration under Uncertainty journal August 2021
Flexibility Optimization for a Palm Oil-Based Integrated Biorefinery with Demand Uncertainties journal March 2016
Correction to Automated Chemical Reaction Extraction from Scientific Literature journal July 2021
Text Mining Metal–Organic Framework Papers journal January 2018
The Evolution of High-Throughput Experimentation in Pharmaceutical Development and Perspectives on the Future journal May 2019
Recent Advances in the Catalytic Synthesis of 2,5-Furandicarboxylic Acid and Its Derivatives journal October 2015
Extracting Knowledge from Data through Catalysis Informatics journal June 2018
Molybdenum Oxide-Modified Iridium Catalysts for Selective Production of Renewable Oils for Jet and Diesel Fuels and Lubricants journal July 2019
Tunable Oleo-Furan Surfactants by Acylation of Renewable Furans journal October 2016
Neural Networks for the Prediction of Organic Chemistry Reactions journal October 2016
Computer-Assisted Retrosynthesis Based on Molecular Similarity journal November 2017
From Tree to Tape: Direct Synthesis of Pressure Sensitive Adhesives from Depolymerized Raw Lignocellulosic Biomass journal May 2018
BioSTEAM-LCA: An Integrated Modeling Framework for Agile Life Cycle Assessment of Biorefineries under Uncertainty journal December 2020
Unraveling Optimal Biomass Processing Routes from Bioconversion Product and Process Networks under Uncertainty: An Adaptive Robust Optimization Approach journal May 2016
Biomass-Derived Butadiene by Dehydra-Decyclization of Tetrahydrofuran journal March 2017
The Future is Garbage: Repurposing of Food Waste to an Integrated Biorefinery journal May 2020
Mining Electronic Laboratory Notebooks: Analysis, Retrosynthesis, and Reaction Based Enumeration journal June 2012
Knowledge-Based Approach to de Novo Design Using Reaction Vectors journal April 2009
Cycloaddition of Biomass-Derived Furans for Catalytic Production of Renewable p -Xylene journal April 2012
Process Simulation of Fuel Ethanol Production from Lignocellulosics using Aspen Plus journal April 2011
On the Systematic Synthesis of Sustainable Biorefineries journal August 2012
Effect of Market Price Uncertainties on the Design of Optimal Biorefinery Systems—A Systematic Approach journal March 2014
Coal and Biomass to Liquid Transportation Fuels: Process Synthesis and Global Optimization Strategies journal May 2014
Optimal Computer-Aided Molecular Design:  A Polymer Design Case Study journal January 1996
Insights into the Interplay of Lewis and Brønsted Acid Catalysts in Glucose and Fructose Conversion to 5-(Hydroxymethyl)furfural and Levulinic Acid in Aqueous Media journal March 2013
Organic synthesis: The robo-chemist journal August 2014
Computer-aided molecular design of solvents for accelerated reaction kinetics journal September 2013
Automated extraction of chemical synthesis actions from experimental procedures journal July 2020
Automation and computer-assisted planning for chemical synthesis journal March 2021
Biomass to liquid transportation fuels (BTL) systems: process synthesis and global optimization framework journal January 2013
Biobased polyesters and other polymers from 2,5-furandicarboxylic acid: a tribute to furan excellency journal January 2015
Multi-criteria screening of chemicals considering thermodynamic and life cycle assessment metrics via data envelopment analysis: application to CO 2 capture journal January 2016
5-Hydroxymethyl-2-vinylfuran: a biomass-based solvent-free adhesive journal January 2017
Computer-aided molecular design and selection of CO 2 capture solvents based on thermodynamics, reactivity and sustainability journal January 2016
Automated and accelerated synthesis of indole derivatives on a nano-scale journal January 2019
“Found in Translation”: predicting outcomes of complex organic chemistry reactions using neural sequence-to-sequence models journal January 2018
A graph-convolutional neural network model for the prediction of chemical reactivity journal January 2019
Catalytic production of renewable lubricant base oils from bio-based 2-alkylfurans and enals journal January 2019
High throughput analysis enables high throughput experimentation in pharmaceutical process research journal January 2019
Dehydra-decyclization of tetrahydrofurans to diene monomers over metal oxides journal January 2020
Thiol-promoted catalytic synthesis of high-performance furan-containing lubricant base oils from biomass derived 2-alkylfurans and ketones journal January 2020
A review of thermal and thermocatalytic valorization of food waste journal January 2021
Lignin monomer conversion into biolubricant base oils journal January 2021
G ryffin : An algorithm for Bayesian optimization of categorical variables informed by expert knowledge journal September 2021
Synthesis of terephthalic acid via Diels-Alder reactions with ethylene and oxidized variants of 5-hydroxymethylfurfural journal May 2014
A new look at the statistical model identification journal December 1974
Computer-Assisted Design of Complex Organic Syntheses journal October 1969
A platform for automated nanomole-scale reaction screening and micromole-scale synthesis in flow journal January 2018
A robotic platform for flow synthesis of organic compounds informed by AI planning journal August 2019
A universal system for digitization and automatic execution of the chemical synthesis literature journal October 2020
SystemT: a system for declarative information extraction journal March 2009
Materials Data Science: Current Status and Future Outlook journal July 2015
Choosing the right NoSQL database for the job: a quality attribute evaluation journal August 2015
Indicators of Sustainable Development for Industry journal July 2000
Computer-Aided Methods and Tools for Chemical Product Design journal November 2004
Estimating the Dimension of a Model journal March 1978
ChemOS: An orchestration software to democratize autonomous discovery journal April 2020
A Review of Stochastic Programming Methods for Optimization of Process Systems Under Uncertainty journal January 2021