LAPSE:2025.0544
Published Article

LAPSE:2025.0544
A Generalized Optimization Approach for the Characterization of Non-Conventional Streams
June 27, 2025
Abstract
This study provides standardized models for the chemical characterization of complex streams, ensuring the necessary adaptations while considering the differences in biomass types and forms. Several datasets are compiled and examined to establish a valid representation of the mixture, according to industry accepted standards and laboratory protocols. For reliable property estimation, correlations of key biomass properties are obtained from both computational models and experimental measurements. Existing data are used to create datasets for the biomass and the biocrude streams. This model builds upon existing knowledge and data technologies with emphasis on hydrothermal liquefaction (HTL). The proposed approach shows potential as a starting point for the design and modelling of more biorefinery-associated technologies. Sludge and pine wood are used as case studies for biomass feedstocks. Two biocrude samples are employed for biocrude characterization. The performance of the developed optimization model is compared favorably with results obtained using previous works. To ensure a variety of possible and valid solutions, integer cuts are implemented producing solution pools for the analysed streams.
This study provides standardized models for the chemical characterization of complex streams, ensuring the necessary adaptations while considering the differences in biomass types and forms. Several datasets are compiled and examined to establish a valid representation of the mixture, according to industry accepted standards and laboratory protocols. For reliable property estimation, correlations of key biomass properties are obtained from both computational models and experimental measurements. Existing data are used to create datasets for the biomass and the biocrude streams. This model builds upon existing knowledge and data technologies with emphasis on hydrothermal liquefaction (HTL). The proposed approach shows potential as a starting point for the design and modelling of more biorefinery-associated technologies. Sludge and pine wood are used as case studies for biomass feedstocks. Two biocrude samples are employed for biocrude characterization. The performance of the developed optimization model is compared favorably with results obtained using previous works. To ensure a variety of possible and valid solutions, integer cuts are implemented producing solution pools for the analysed streams.
Record ID
Keywords
Biocrude, Biomass, Biorefineries, Integer cuts, MINLP, Optimization
Subject
Suggested Citation
Vasilaki M, Marcoulaki E, Kokossis A. A Generalized Optimization Approach for the Characterization of Non-Conventional Streams. Systems and Control Transactions 4:2441-2446 (2025) https://doi.org/10.69997/sct.184171
Author Affiliations
Vasilaki M: Department of Process Analysis and Plant Design, School of Chemical Engineering, National Technical University of Athens, Athens, Greece
Marcoulaki E: System Reliability and Industrial Safety Laboratory, National Center for Scientific Research Demokritos, Athens, Greece
Kokossis A: Department of Process Analysis and Plant Design, School of Chemical Engineering, National Technical University of Athens, Athens, Greece
Marcoulaki E: System Reliability and Industrial Safety Laboratory, National Center for Scientific Research Demokritos, Athens, Greece
Kokossis A: Department of Process Analysis and Plant Design, School of Chemical Engineering, National Technical University of Athens, Athens, Greece
Journal Name
Systems and Control Transactions
Volume
4
First Page
2441
Last Page
2446
Year
2025
Publication Date
2025-07-01
Version Comments
Original Submission
Other Meta
PII: 2441-2446-1691-SCT-4-2025, Publication Type: Journal Article
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LAPSE:2025.0544
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https://doi.org/10.69997/sct.184171
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Jun 27, 2025
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References Cited
- Ritchie H, Rosado P, Roser M. CO2 and greenhouse gas emissions. Our World in Data (2023). Available at: https://ourworldindata.org/co2-and-greenhouse-gas-emissions
- International Energy Agency. https://www.iea.org/data-and-statistics
- Bauen A, Berndes G, Junginger M, Londo M, Vuille F. Bioenergy - a sustainable and reliable energy source: A review of status and prospects. IEA Bioenergy ExCo: 2009:06 (2009)
- Castello D, Pedersen TH, Rosendahl LA. Continuous hydrothermal liquefaction of biomass: A critical review. Energies 11(11):3165 (2018). https://doi.org/10.3390/en11113165
- Basar IA, Liu H, Carrere H, Trably E. A review on key design and operational parameters to optimize and develop hydrothermal liquefaction of biomass for biorefinery applications. Green Chemistry (2021). https://doi.org/10.1039/D0GC04092D
- Mishra RK, Kumar V, Kumar P, Mohanty K. Hydrothermal liquefaction of biomass for bio-crude production: A review on feedstocks, chemical compositions, operating parameters, reaction kinetics, techno-economic study, and life cycle assessment. Fuel 316:123377 (2022). https://doi.org/10.1016/j.fuel.2022.123377
- Mathanker A, Das S, Pudasainee D, Khan M, Kumar A, Gupta R. A review of hydrothermal liquefaction of biomass for biofuels production with a special focus on the effect of process parameters, co-solvents, and extraction solvents. Energies 14(16):4916 (2021). https://doi.org/10.3390/en14164916
- Bao R, Wang S, Feng J, Duan Y, Liu K, Zhao J, Liu H, Yang J. A review of hydrothermal biomass liquefaction: Operating parameters, reaction mechanism, and bio-oil yields and compositions. Energy Fuels 38:8437-8459 (2024). https://doi.org/10.1021/acs.energyfuels.4c00240
- Moser L, Portner BW, Penke C, Ebner K, Batteiger V. Life-cycle assessment of renewable fuel production via hydrothermal liquefaction of manure in Germany. Sustain Energy Fuels 7:4898-4913 (2023). https://doi.org/10.1039/D3SE00646H
- Kumar R. A review on the modelling of hydrothermal liquefaction of biomass and waste feedstocks. Energy Nexus 5:100042 (2022). https://doi.org/10.1016/j.nexus.2022.100042
- Heracleous E, Vassou M, Lappas AA, Rodriguez JK, Chiaberge S, Bianchi D. Understanding the upgrading of sewage sludge-derived hydrothermal liquefaction biocrude via advanced characterization. Energy Fuels 36:12010-20 (2022). https://doi.org/10.1021/acs.energyfuels.2c01746
- Badoga S, Gieleciak R, Alvarez-Majmutov A, Xing T, Chen J. An overview on the analytical methods for characterization of biocrudes and their blends with petroleum. Fuel 324B:124608 (2022). https://doi.org/10.1016/j.fuel.2022.124608
- Michailof CM, Kalogiannis KG, Sfetsas T, Patiaka DT, Lappas AA. Advanced analytical techniques for bio-oil characterization. Wiley Interdisciplinary Reviews: Energy and Environment (2016). https://doi.org/10.1002/wene.208
- De Buck V, Sbarciog MI, Cras J, Bhonsale SS, Polanska M, Van Impe JFM. Critical analysis of the use of white-box versus black-box models for multi-objective optimisation of small-scale biorefineries. Front Food Sci Technol 3:1154305 (2023) https://doi.org/10.3389/frfst.2023.1154305
- Koziel S, Ciaurri DE, Leifsson L. Surrogate-based methods. In: Computational Optimization, Methods and Algorithms. Ed: Koziel S, Yang XS. Springer, Berlin, Heidelberg (2011) 33-59. https://doi.org/10.1007/978-3-642-20859-1_3
- McBride K, Sundmacher K. Overview of surrogate modeling in chemical process engineering. Chemie Ingenieur Technik 91:32-42 (2019) https://doi.org/10.1002/cite.201800091
- Park SY, Oh KC, Kim SJ, Cho LH, Jeon YK, Kim DH. Development of a biomass component prediction model based on elemental and proximate analyses. Energies 16(14):5341 (2023). https://doi.org/10.3390/en16145341
- Ahmed MU, Andersson P, Andersson T, Tomas Aparicio E, Baaz H, Barua S, Bergström A, Bengtsson D, Orisio D, Skvaril J, Zambrano J. A machine learning approach for biomass characterization. Energy Procedia 158:1279-1287 (2019). https://doi.org/10.1016/j.egypro.2019.01.316
- Taghipour A, Ramirez J, Rainey TJ. A method for HTL biocrude simulation using multi-objective optimisation and fractional distillation. Comput Chem Eng 157:107600 (2022) https://doi.org/10.1016/j.compchemeng.2021.107600
- Aslanoglou I, Anastasakis K, Michalopoulos C, Marcoulaki E, Kokossis A. A systems approach to model nonconventional streams applied to biocrude production from hydrothermal liquefaction. Comput Aided Chem Eng 53:1177-1182 (2024) https://doi.org/10.1016/B978-0-443-28824-1.50197-6
- Kokossis AC, Tsakalova M, Pyrgakis K. Design of integrated biorefineries. Computers & Chemical Engineering 81:40-56 (2015). https://doi.org/10.1016/j.compchemeng.2015.05.021
- Godin B, Agneessens R, Gerin PA, Delcarte J. Composition of structural carbohydrates in biomass: Precision of a liquid chromatography method using a neutral detergent extraction and a charged aerosol detector. Talanta 85(4):2014-2026 (2011). https://doi.org/10.1016/j.talanta.2011.07.044
- Abdul-Mumeen I, Zakpaa HD, Mills-Robertson FC, Samuel TL, Duwiejuah AB. Amino acid profile and potential biomass conversion of Vitellaria paradoxa fruit pulp. Scientific African 24:e02183 (2024). https://doi.org/10.1016/j.sciaf.2024.e02183
- Shah TA, Zhihe L, Zhiyu L, Andong Z. Composition and role of lignin in biochemicals. In: IntechOpen (2022). https://doi.org/10.5772/intechopen.106527
- Lahive CW, Kamer PCJ, Lancefield CS, Deuss PJ. An introduction to model compounds of lignin linking motifs; synthesis and selection considerations for reactivity studies. ChemSusChem (2020). https://doi.org/10.1002/cssc.202000989
- Vermaas JV, Crowley MF, Beckham GT. Molecular simulation of lignin-related aromatic compound permeation through gram-negative bacterial outer membranes. J Biol Chem 298:102627 (2022). https://doi.org/10.1016/j.jbc.2022.102627
- Lammens TM, Franssen MCR, Scott EL, Sanders JPM. Availability of protein-derived amino acids as feedstock for the production of bio-based chemicals. Biomass and Bioenergy 44:168-181 (2012). https://doi.org/10.1016/j.biombioe.2012.04.021
- Agblevor FA, Hames BR, Schell D, et al. Analysis of biomass sugars using a novel HPLC method. Appl Biochem Biotechnol 136:309-326 (2007). https://doi.org/10.1007/s12010-007-9028-4
- Tonon T, Machado CB, Webber M, Webber D, Smith J, Pilsbury A, Cicéron F, Herrera-Rodriguez L, Jimenez EM, Suarez JV, Ahearn M, Gonzalez F, Allen MJ. Biochemical and elemental composition of pelagic Sargassum biomass harvested across the Caribbean. Phycology 2(1):204-215 (2022). https://doi.org/10.3390/phycology2010011
- Sousa AM, Andrade TA, Errico M, Coelho JP, Filipe RM, Matos HA. Fatty acid content in biomasses: State-of-the-art and novel physical property estimation methods. Biomolecules (2019). https://doi.org/10.1155/2019/2430234
- López Barreiro D, Martin-Martinez FJ, Torri C, Prins W, Buehler MJ. Molecular characterization and atomistic model of biocrude oils from hydrothermal liquefaction of microalgae. Algal Research 35:262-273 (2018). https://doi.org/10.1016/j.algal.2018.08.034
- Vardon DR, Sharma BK, Scott J, Yu G, Wang Z, Schideman L, Zhang Y, Strathmann TJ. Chemical properties of biocrude oil from the hydrothermal liquefaction of Spirulina algae, swine manure, and digested anaerobic sludge. Bioresour Technol 102:6985-6992 (2011) https://doi.org/10.1016/j.biortech.2011.06.041
- Obeid R, Smith N, Lewis DM, Hall T, van Eyk P. A kinetic model for hydrothermal liquefaction of microalgae, sewage sludge, and pine wood with product characterization of renewable crude. Chem Eng J 428:131228 (2022) https://doi.org/10.1016/j.cej.2021.131228
- Snowden-Swan LJ, Li S, Thorson MR, Schmidt AJ, Cronin DJ, Zhu Y, Hart TR, Santosa DM, Fox SP, Lemmon TL, Swita MS. Wet waste hydrothermal liquefaction and biocrude upgrading to hydrocarbon fuels: 2022 state of technology. No. PNNL-32731. Pacific Northwest National Lab.(PNNL), Richland, WA (United States) (2022) https://doi.org/10.2172/1897670
- Terrell E, Dellon LD, Dufour A, Bartolomei E, Broadbelt LJ, Garcia-Perez M. A review on lignin liquefaction: advanced characterization of structure and microkinetic modeling. Ind Eng Chem Res 59:526-555 (2020) https://doi.org/10.1021/acs.iecr.9b05744

