ISSN 0253-2778

CN 34-1054/N

Open AccessOpen Access JUSTC Engeering & Materials 30 June 2022

Insights on cellulose hydrolysis in the porous structure of biomass particles using the lattice Boltzmann method

Cite this:
https://doi.org/10.52396/JUSTC-2021-0268
More Information
  • Author Bio:

    Haoyang Wei is currently pursuing a master’s degree at the University of Science and Technology of China. His research focuses mainly on numerical simulation of biomass hydrothermal conversion

    Chengguang Wang received his Ph.D. degree in Thermal Engineering from Guangzhou Institute of Energy Conversion (GIEC), Chinese Academy of Sciences in 2009. He joined GIEC in 2013 and is now the director of Biomass Catalytic Conversion Laboratory. His research interests include fundamental and applied research in biomass catalytic conversion to aviation fuel and high value chemicals

    Longlong Ma received his Ph.D. degree from East China University of Science and Technology in 2007. From 2002 to 2021, he worked in Guangzhou Institute of Energy Research, Chinese Academy of Sciences, and served successively as researcher, deputy director, party secretary and director. He is currently a professor at the School of Energy and Environment, Southeast University. His research interests include the theory studies on the aqueous catalysis of biomass; biomass pyrolysis, gasification and power generation; efficient conversion and application of biomass

  • Corresponding author: E-mail: wangcg@ms.giec.ac.cn; E-mail: mall@seu.edu.cn
  • Received Date: 20 December 2021
  • Accepted Date: 21 March 2022
  • Available Online: 30 June 2022
  • Lignocellulose biomass has been recognized as one of the most promising sources of low-cost and renewable biofuels, and its conversion into alternative fuels and valuable platform molecules has attracted widespread attention. The porous solid residue from lignocellulose biomass, which was pretreated by steam-stripping, is catalyzed by dilute sulfuric acid to form levulinic acid (LA). The process includes porous media diffusion, multicomponent reactive transport, liquid-solid interface reaction, and cellulose dissolution. Understanding the interactions between these complex physicochemical processes is the basis for optimizing the performance of the hydrolysis reaction. In this study, a porous reaction transport model based on the lattice Boltzmann method (LBM) was established to simulate the conversion of cellulose to LA which was catalyzed by dilute acid. The simulation results were compared with the existing experimental results to verify the accuracy of the model. The simulation results showed that temperature has a significant effect on hydrolysis and the highest carbon yield was obtained at 180 °C. Without considering the lignin reaction, the higher the sulfuric acid concentration, the better is the hydrolysis efficiency in the range of 4% – 8%. The influence of cellulose content and steam-stripping the residue porosity on the dissolution rate of cellulose was also evaluated. The average dissolution rate of cellulose is the highest within 75 min, when the porosity is 0.7 and the cellulose content is 50%.
    Schematic diagram of the hydrolysis of lignocellulose biomass solid residues to levulinic acid (LA) and solid-liquid dissolution.
    Lignocellulose biomass has been recognized as one of the most promising sources of low-cost and renewable biofuels, and its conversion into alternative fuels and valuable platform molecules has attracted widespread attention. The porous solid residue from lignocellulose biomass, which was pretreated by steam-stripping, is catalyzed by dilute sulfuric acid to form levulinic acid (LA). The process includes porous media diffusion, multicomponent reactive transport, liquid-solid interface reaction, and cellulose dissolution. Understanding the interactions between these complex physicochemical processes is the basis for optimizing the performance of the hydrolysis reaction. In this study, a porous reaction transport model based on the lattice Boltzmann method (LBM) was established to simulate the conversion of cellulose to LA which was catalyzed by dilute acid. The simulation results were compared with the existing experimental results to verify the accuracy of the model. The simulation results showed that temperature has a significant effect on hydrolysis and the highest carbon yield was obtained at 180 °C. Without considering the lignin reaction, the higher the sulfuric acid concentration, the better is the hydrolysis efficiency in the range of 4% – 8%. The influence of cellulose content and steam-stripping the residue porosity on the dissolution rate of cellulose was also evaluated. The average dissolution rate of cellulose is the highest within 75 min, when the porosity is 0.7 and the cellulose content is 50%.
    • In order to explore the reaction and transport inside the porous biomass solid residue, based on the lattice Boltzmann method, a numerical model coupling physicochemical processes was established.
    • By changing the reaction parameters, the optimal reaction conditions under different working conditions were explored.

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    Ragauskas A J, Williams C K, Davison B H, et al. The path forward for biofuels and biomaterials. Science, 2006, 311 (5760): 484–489. doi: 10.1126/science.1114736
    [2]
    Takagaki A, Nishimura S, Ebitani K. Catalytic transformations of biomass-derived materials into value-added chemicals. Catalysis Surveys from Asia, 2012, 16 (3): 164–182. doi: 10.1007/s10563-012-9142-3
    [3]
    Alonso D M, Hakim S H, Zhou S, et al. Increasing the revenue from lignocellulosic biomass: Maximizing feedstock utilization. Science Advances, 2017, 3 (5): e1603301. doi: 10.1126/sciadv.1603301
    [4]
    Climent M J, Corma A, Iborra S. Conversion of biomass platform molecules into fuel additives and liquid hydrocarbon fuels. Green Chemistry, 2014, 16 (2): 516–547. doi: 10.1039/C3GC41492B
    [5]
    Isikgor F H, Becer C R. Lignocellulosic biomass: a sustainable platform for the production of bio-based chemicals and polymers. Polymer Chemistry, 2015, 6 (25): 4497–4559. doi: 10.1039/c5py00263j
    [6]
    Pileidis F D, Titirici M M. Levulinic acid biorefineries: New challenges for efficient utilization of biomass. ChemSusChem, 2016, 9 (6): 562–582. doi: 10.1002/cssc.201501405
    [7]
    Yan K, Jarvis C, Gu J, et al. Production and catalytic transformation of levulinic acid: A platform for speciality chemicals and fuels. Renewable and Sustainable Energy Reviews, 2015, 51: 986–997. doi: 10.1016/j.rser.2015.07.021
    [8]
    Huber G W, Iborra S, Corma A. Synthesis of transportation fuels from biomass: Chemistry, catalysts, and engineering. Chemical Reviews, 2006, 106 (9): 4044–4098. doi: 10.1021/cr068360d
    [9]
    Van Buijtenen J, Lange J P, Alonso L E, et al. Furfural production by ‘acidic steam stripping’ of lignocellulose. ChemSusChem, 2013, 6 (11): 2132–2136. doi: 10.1002/cssc.201300234
    [10]
    Shinde S D, Meng X, Kumar R, et al. Recent advances in understanding the pseudo-lignin formation in a lignocellulosic biorefinery. Green Chemistry, 2018, 20 (10): 2192–2205. doi: 10.1039/C8GC00353J
    [11]
    Ruiz H A, Conrad M, Sun S N, et al. Engineering aspects of hydrothermal pretreatment: From batch to continuous operation, scale-up and pilot reactor under biorefinery concept. Bioresource Technology, 2020, 299: 122685. doi: 10.1016/j.biortech.2019.122685
    [12]
    Li Y, Zhao C, Chen L, et al. Production of bio-jet fuel from corncob by hydrothermal decomposition and catalytic hydrogenation: Lab analysis of process and techno-economics of a pilot-scale facility. Applied Energy, 2018, 227: 128–136. doi: 10.1016/j.apenergy.2017.07.133
    [13]
    Camacho F, González-Tello P, Jurado E, et al. Microcrystalline-cellulose hydrolysis with concentrated sulphuric acid. Journal of Chemical Technology & Biotechnology, 1996, 67 (4): 350–356. doi: 10.1002/(SICI)1097-4660(199612)67:4<350::AID-JCTB564>3.0.CO;2-9
    [14]
    Kim J S, Lee Y Y, Torget R W. Cellulose hydrolysis under extremely low sulfuric acid and high-temperature conditions. Applied Biochemistry and Biotechnology, 2001, 91 (1): 331–340. doi: 10.1385/ABAB:91-93:1-9:331
    [15]
    Mosier N S, Sarikaya A, Ladisch C M, et al. Characterization of dicarboxylic acids for cellulose hydrolysis. Biotechnology Progress, 2001, 17 (3): 474–480. doi: 10.1021/bp010028u
    [16]
    Girisuta B, Janssen L P B M, Heeres H J. Kinetic study on the acid-catalyzed hydrolysis of cellulose to levulinic acid. Industrial & Engineering Chemistry Research, 2007, 46 (6): 1696–1708. doi: 10.1021/ie061186z
    [17]
    Patil S K R, Heltzel J, Lund C R F. Comparison of structural features of humins formed catalytically from glucose, fructose, and 5-hydroxymethylfurfuraldehyde. Energy Fuels, 2012, 26 (8): 5281–5293. doi: 10.1021/ef3007454
    [18]
    Jing Q, Lü X. Kinetics of non-catalyzed decomposition of glucose in high-temperature liquid water. Chinese Journal of Chemical Engineering, 2008, 16 (6): 890–894. doi: 10.1016/S1004-9541(09)60012-4
    [19]
    Li Q, Luo K H, Kang Q J, et al. Lattice Boltzmann methods for multiphase flow and phase-change heat transfer. Progress in Energy and Combustion Science, 2016, 52: 62–105. doi: 10.1016/j.pecs.2015.10.001
    [20]
    Van den Akker H E A. Lattice Boltzmann simulations for multi-scale chemical engineering. Current Opinion in Chemical Engineering, 2018, 21: 67–75. doi: 10.1016/j.coche.2018.03.003
    [21]
    Zhu J, Ma J. An improved gray lattice Boltzmann model for simulating fluid flow in multi-scale porous media. Advances in Water Resources, 2013, 56: 61–76. doi: 10.1016/j.advwatres.2013.03.001
    [22]
    Xu A, Shi L, Xi H D. Lattice Boltzmann simulations of three-dimensional thermal convective flows at high Rayleigh number. International Journal of Heat and Mass Transfer, 2019, 140: 359–370. doi: 10.1016/j.ijheatmasstransfer.2019.06.002
    [23]
    Li D, Ren Q, Tong Z X, et al. Lattice Boltzmann models for axisymmetric solid–liquid phase change. International Journal of Heat and Mass Transfer, 2017, 112: 795–804. doi: 10.1016/j.ijheatmasstransfer.2017.03.127
    [24]
    Nemati M, Shateri Najaf Abady A R, Toghraie D, et al. Numerical investigation of the pseudopotential lattice Boltzmann modeling of liquid–vapor for multi-phase flows. Physica A: Statistical Mechanics and its Applications, 2018, 489: 65–77. doi: 10.1016/j.physa.2017.07.013
    [25]
    Liu H, Kang Q, Leonardi C R, et al. Multiphase lattice Boltzmann simulations for porous media applications. Computational Geosciences, 2016, 20 (4): 777–805. doi: 10.1007/s10596-015-9542-3
    [26]
    Liu M, Mostaghimi P. High-resolution pore-scale simulation of dissolution in porous media. Chemical Engineering Science, 2017, 161: 360–369. doi: 10.1016/j.ces.2016.12.064
    [27]
    Falcucci G, Amati G, Krastev V K, et al. Heterogeneous catalysis in pulsed-flow reactors with nanoporous gold hollow spheres. Chemical Engineering Science, 2017, 166: 274–282. doi: 10.1016/j.ces.2017.03.037
    [28]
    Liu S, Wei X, Sun W, et al. Coking prediction in catalytic glucose conversion to levulinic acid using improved lattice Boltzmann model. Industrial & Engineering Chemistry Research, 2020, 59 (39): 17462–17475. doi: 10.1021/acs.iecr.0c03635
    [29]
    Shan X, Chen H. Lattice Boltzmann model for simulating flows with multiple phases and components. Physical Review E, 1993, 47 (3): 1815–1819. doi: 10.1103/PhysRevE.47.1815
    [30]
    Pan C, Hilpert M, Miller C T. Lattice-Boltzmann simulation of two-phase flow in porous media. Water Resources Research, 2004, 40 (1): W01501. doi: 10.1029/2003WR002120
    [31]
    Mei Q, Wei X, Sun W, et al. Liquid membrane catalytic model of hydrolyzing cellulose into 5-hydroxymethylfurfural based on the lattice Boltzmann method. RSC Advances, 2019, 9 (23): 12846–12853. doi: 10.1039/C9RA02090J
    [32]
    Yuan P, Schaefer L. Equations of state in a lattice Boltzmann model. Physics of Fluids, 2006, 18 (4): 042101. doi: 10.1063/1.2187070
    [33]
    Wei X, Li W, Liu Q, et al. Pore-scale investigation on multiphase reactive transport for the conversion of levulinic acid to γ-valerolactone with Ru/C catalyst. Chemical Engineering Journal, 2022, 427: 130917. doi: 10.1016/j.cej.2021.130917
    [34]
    Yu Z, Fan L S. Multirelaxation-time interaction-potential-based lattice Boltzmann model for two-phase flow. Physical Review E, 2010, 82 (4): 046708. doi: 10.1103/PhysRevE.82.046708
    [35]
    Wang M, Wang J, Pan N, et al. Mesoscopic predictions of the effective thermal conductivity for microscale random porous media. Physical Review E, 2007, 75 (3): 036702. doi: 10.1103/PhysRevE.75.036702
    [36]
    Lopes E S, Rivera E C, de Jesus Gariboti J C, et al. Kinetic insights into the lignocellulosic biomass-based levulinic acid production by a mechanistic model. Cellulose, 2020, 27 (10): 5641–5663. doi: 10.1007/s10570-020-03183-w
    [37]
    Petridis L, Smith J C. Molecular-level driving forces in lignocellulosic biomass deconstruction for bioenergy. Nature Reviews Chemistry, 2018, 2 (11): 382–389. doi: 10.1038/s41570-018-0050-6
    [38]
    Shen X, Sun R. Recent advances in lignocellulose prior-fractionation for biomaterials, biochemicals, and bioenergy. Carbohydrate Polymers, 2021, 261: 117884. doi: 10.1016/j.carbpol.2021.117884
    [39]
    Chen L, Kang Q, Robinson B A, et al. Pore-scale modeling of multiphase reactive transport with phase transitions and dissolution-precipitation processes in closed systems. Physical Review E, 2013, 87 (4): 043306. doi: 10.1103/PhysRevE.87.043306
    [40]
    Chen L, Kang Q, Tang Q, et al. Pore-scale simulation of multicomponent multiphase reactive transport with dissolution and precipitation. International Journal of Heat and Mass Transfer, 2015, 85: 935–949. doi: 10.1016/j.ijheatmasstransfer.2015.02.035
    [41]
    Chen L, Wang M, Kang Q, et al. Pore scale study of multiphase multicomponent reactive transport during CO2 dissolution trapping. Advances in Water Resources, 2018, 116: 208–218. doi: 10.1016/j.advwatres.2018.02.018
    [42]
    Ma C, Cai B, Zhang L, et al. Acid-catalyzed conversion of cellulose into levulinic acid with biphasic solvent system. Frontiers in Plant Science, 2021, 12: 630807. doi: 10.3389/fpls.2021.630807
    [43]
    Weingarten R, Conner W C, Huber G W. Production of levulinic acid from cellulose by hydrothermal decomposition combined with aqueous phase dehydration with a solid acid catalyst. Energy & Environmental Science, 2012, 5 (6): 7559–7574. doi: 10.1039/C2EE21593D
  • 加载中

Catalog

    1.  Technological process for the preparation of levulinic acid (LA) from lignocellulose.

    Figure  1.  Residue structure generated by the program .The green part is cellulose, the yellow part is lignin.

    Figure  2.  Schematic of the moving liquid-solid interface.

    Figure  3.  Variation of dimensionless concentration curve with reaction time at 150 °C for (a) glucose, (b) 5-hydroxymethylfurfural (HMF), and (c) levulinic acid (LA).

    Figure  4.  Variation of dimensionless concentration curve with reaction time at 170 °C for (a) glucose, (b) 5-hydroxymethylfurfural (HMF), and (c) levulinic (LA).

    Figure  5.  Variation of dimensionless concentration curve with reaction time at 190 °C for (a) glucose, (b) 5-hydroxymethylfurfural (HMF), and (c) levulinic (LA).

    Figure  6.  Contour plots of glucose with dimensionless concentration in the cross-section of the cylinder at different temperatures.

    Figure  7.  Time evolution of the dimensionless concentration of (a) glucose, (b) 5-hydroxymethylfurfural (HMF), and (c) levulinic (LA).

    Figure  8.  The overall reaction rate of the product at different temperatures for (a) glucose and (b) levulinic (LA).

    Figure  9.  (a) Conversion rate of glucose, (b) levulinic (LA) yield, and (c) effective carbon yield.

    Figure  10.  Time evolution under different acid concentrations of the dimensionless concentration of (a) glucose, and (b) levulinic (LA).

    Figure  11.  Time evolution under different acid concentrations of the overall reaction rate of (a) glucose, and (b) levulinic (LA).

    Figure  12.  (a) Time evolution of the number of solid nodes changing to fluid nodes. (b) The dissolution rate of cellulose nodes variation over time.

    Figure  13.  Schematic diagram of the structure of porous media along the axial direction of a cylinder under different porosity values. The green part is cellulose, and the orange part is lignin.

    Figure  14.  Time evolution under different porosities of the dimensionless concentration of (a) glucose, and (b) levulinic (LA).

    Figure  15.  (a) The number of solid nodes changing to fluid nodes varies with time under different porosities. (b) The dissolution rate of cellulose nodes over time.

    Figure  16.  Time evolution under different cellulose contents of the dimensionless concentration of (a) glucose, and (b) levulinic (LA).

    Figure  17.  (a) The number of solid nodes changing to fluid nodes over time for different cellulose contents. (b) The dissolution rate of cellulose over time.

    [1]
    Ragauskas A J, Williams C K, Davison B H, et al. The path forward for biofuels and biomaterials. Science, 2006, 311 (5760): 484–489. doi: 10.1126/science.1114736
    [2]
    Takagaki A, Nishimura S, Ebitani K. Catalytic transformations of biomass-derived materials into value-added chemicals. Catalysis Surveys from Asia, 2012, 16 (3): 164–182. doi: 10.1007/s10563-012-9142-3
    [3]
    Alonso D M, Hakim S H, Zhou S, et al. Increasing the revenue from lignocellulosic biomass: Maximizing feedstock utilization. Science Advances, 2017, 3 (5): e1603301. doi: 10.1126/sciadv.1603301
    [4]
    Climent M J, Corma A, Iborra S. Conversion of biomass platform molecules into fuel additives and liquid hydrocarbon fuels. Green Chemistry, 2014, 16 (2): 516–547. doi: 10.1039/C3GC41492B
    [5]
    Isikgor F H, Becer C R. Lignocellulosic biomass: a sustainable platform for the production of bio-based chemicals and polymers. Polymer Chemistry, 2015, 6 (25): 4497–4559. doi: 10.1039/c5py00263j
    [6]
    Pileidis F D, Titirici M M. Levulinic acid biorefineries: New challenges for efficient utilization of biomass. ChemSusChem, 2016, 9 (6): 562–582. doi: 10.1002/cssc.201501405
    [7]
    Yan K, Jarvis C, Gu J, et al. Production and catalytic transformation of levulinic acid: A platform for speciality chemicals and fuels. Renewable and Sustainable Energy Reviews, 2015, 51: 986–997. doi: 10.1016/j.rser.2015.07.021
    [8]
    Huber G W, Iborra S, Corma A. Synthesis of transportation fuels from biomass: Chemistry, catalysts, and engineering. Chemical Reviews, 2006, 106 (9): 4044–4098. doi: 10.1021/cr068360d
    [9]
    Van Buijtenen J, Lange J P, Alonso L E, et al. Furfural production by ‘acidic steam stripping’ of lignocellulose. ChemSusChem, 2013, 6 (11): 2132–2136. doi: 10.1002/cssc.201300234
    [10]
    Shinde S D, Meng X, Kumar R, et al. Recent advances in understanding the pseudo-lignin formation in a lignocellulosic biorefinery. Green Chemistry, 2018, 20 (10): 2192–2205. doi: 10.1039/C8GC00353J
    [11]
    Ruiz H A, Conrad M, Sun S N, et al. Engineering aspects of hydrothermal pretreatment: From batch to continuous operation, scale-up and pilot reactor under biorefinery concept. Bioresource Technology, 2020, 299: 122685. doi: 10.1016/j.biortech.2019.122685
    [12]
    Li Y, Zhao C, Chen L, et al. Production of bio-jet fuel from corncob by hydrothermal decomposition and catalytic hydrogenation: Lab analysis of process and techno-economics of a pilot-scale facility. Applied Energy, 2018, 227: 128–136. doi: 10.1016/j.apenergy.2017.07.133
    [13]
    Camacho F, González-Tello P, Jurado E, et al. Microcrystalline-cellulose hydrolysis with concentrated sulphuric acid. Journal of Chemical Technology & Biotechnology, 1996, 67 (4): 350–356. doi: 10.1002/(SICI)1097-4660(199612)67:4<350::AID-JCTB564>3.0.CO;2-9
    [14]
    Kim J S, Lee Y Y, Torget R W. Cellulose hydrolysis under extremely low sulfuric acid and high-temperature conditions. Applied Biochemistry and Biotechnology, 2001, 91 (1): 331–340. doi: 10.1385/ABAB:91-93:1-9:331
    [15]
    Mosier N S, Sarikaya A, Ladisch C M, et al. Characterization of dicarboxylic acids for cellulose hydrolysis. Biotechnology Progress, 2001, 17 (3): 474–480. doi: 10.1021/bp010028u
    [16]
    Girisuta B, Janssen L P B M, Heeres H J. Kinetic study on the acid-catalyzed hydrolysis of cellulose to levulinic acid. Industrial & Engineering Chemistry Research, 2007, 46 (6): 1696–1708. doi: 10.1021/ie061186z
    [17]
    Patil S K R, Heltzel J, Lund C R F. Comparison of structural features of humins formed catalytically from glucose, fructose, and 5-hydroxymethylfurfuraldehyde. Energy Fuels, 2012, 26 (8): 5281–5293. doi: 10.1021/ef3007454
    [18]
    Jing Q, Lü X. Kinetics of non-catalyzed decomposition of glucose in high-temperature liquid water. Chinese Journal of Chemical Engineering, 2008, 16 (6): 890–894. doi: 10.1016/S1004-9541(09)60012-4
    [19]
    Li Q, Luo K H, Kang Q J, et al. Lattice Boltzmann methods for multiphase flow and phase-change heat transfer. Progress in Energy and Combustion Science, 2016, 52: 62–105. doi: 10.1016/j.pecs.2015.10.001
    [20]
    Van den Akker H E A. Lattice Boltzmann simulations for multi-scale chemical engineering. Current Opinion in Chemical Engineering, 2018, 21: 67–75. doi: 10.1016/j.coche.2018.03.003
    [21]
    Zhu J, Ma J. An improved gray lattice Boltzmann model for simulating fluid flow in multi-scale porous media. Advances in Water Resources, 2013, 56: 61–76. doi: 10.1016/j.advwatres.2013.03.001
    [22]
    Xu A, Shi L, Xi H D. Lattice Boltzmann simulations of three-dimensional thermal convective flows at high Rayleigh number. International Journal of Heat and Mass Transfer, 2019, 140: 359–370. doi: 10.1016/j.ijheatmasstransfer.2019.06.002
    [23]
    Li D, Ren Q, Tong Z X, et al. Lattice Boltzmann models for axisymmetric solid–liquid phase change. International Journal of Heat and Mass Transfer, 2017, 112: 795–804. doi: 10.1016/j.ijheatmasstransfer.2017.03.127
    [24]
    Nemati M, Shateri Najaf Abady A R, Toghraie D, et al. Numerical investigation of the pseudopotential lattice Boltzmann modeling of liquid–vapor for multi-phase flows. Physica A: Statistical Mechanics and its Applications, 2018, 489: 65–77. doi: 10.1016/j.physa.2017.07.013
    [25]
    Liu H, Kang Q, Leonardi C R, et al. Multiphase lattice Boltzmann simulations for porous media applications. Computational Geosciences, 2016, 20 (4): 777–805. doi: 10.1007/s10596-015-9542-3
    [26]
    Liu M, Mostaghimi P. High-resolution pore-scale simulation of dissolution in porous media. Chemical Engineering Science, 2017, 161: 360–369. doi: 10.1016/j.ces.2016.12.064
    [27]
    Falcucci G, Amati G, Krastev V K, et al. Heterogeneous catalysis in pulsed-flow reactors with nanoporous gold hollow spheres. Chemical Engineering Science, 2017, 166: 274–282. doi: 10.1016/j.ces.2017.03.037
    [28]
    Liu S, Wei X, Sun W, et al. Coking prediction in catalytic glucose conversion to levulinic acid using improved lattice Boltzmann model. Industrial & Engineering Chemistry Research, 2020, 59 (39): 17462–17475. doi: 10.1021/acs.iecr.0c03635
    [29]
    Shan X, Chen H. Lattice Boltzmann model for simulating flows with multiple phases and components. Physical Review E, 1993, 47 (3): 1815–1819. doi: 10.1103/PhysRevE.47.1815
    [30]
    Pan C, Hilpert M, Miller C T. Lattice-Boltzmann simulation of two-phase flow in porous media. Water Resources Research, 2004, 40 (1): W01501. doi: 10.1029/2003WR002120
    [31]
    Mei Q, Wei X, Sun W, et al. Liquid membrane catalytic model of hydrolyzing cellulose into 5-hydroxymethylfurfural based on the lattice Boltzmann method. RSC Advances, 2019, 9 (23): 12846–12853. doi: 10.1039/C9RA02090J
    [32]
    Yuan P, Schaefer L. Equations of state in a lattice Boltzmann model. Physics of Fluids, 2006, 18 (4): 042101. doi: 10.1063/1.2187070
    [33]
    Wei X, Li W, Liu Q, et al. Pore-scale investigation on multiphase reactive transport for the conversion of levulinic acid to γ-valerolactone with Ru/C catalyst. Chemical Engineering Journal, 2022, 427: 130917. doi: 10.1016/j.cej.2021.130917
    [34]
    Yu Z, Fan L S. Multirelaxation-time interaction-potential-based lattice Boltzmann model for two-phase flow. Physical Review E, 2010, 82 (4): 046708. doi: 10.1103/PhysRevE.82.046708
    [35]
    Wang M, Wang J, Pan N, et al. Mesoscopic predictions of the effective thermal conductivity for microscale random porous media. Physical Review E, 2007, 75 (3): 036702. doi: 10.1103/PhysRevE.75.036702
    [36]
    Lopes E S, Rivera E C, de Jesus Gariboti J C, et al. Kinetic insights into the lignocellulosic biomass-based levulinic acid production by a mechanistic model. Cellulose, 2020, 27 (10): 5641–5663. doi: 10.1007/s10570-020-03183-w
    [37]
    Petridis L, Smith J C. Molecular-level driving forces in lignocellulosic biomass deconstruction for bioenergy. Nature Reviews Chemistry, 2018, 2 (11): 382–389. doi: 10.1038/s41570-018-0050-6
    [38]
    Shen X, Sun R. Recent advances in lignocellulose prior-fractionation for biomaterials, biochemicals, and bioenergy. Carbohydrate Polymers, 2021, 261: 117884. doi: 10.1016/j.carbpol.2021.117884
    [39]
    Chen L, Kang Q, Robinson B A, et al. Pore-scale modeling of multiphase reactive transport with phase transitions and dissolution-precipitation processes in closed systems. Physical Review E, 2013, 87 (4): 043306. doi: 10.1103/PhysRevE.87.043306
    [40]
    Chen L, Kang Q, Tang Q, et al. Pore-scale simulation of multicomponent multiphase reactive transport with dissolution and precipitation. International Journal of Heat and Mass Transfer, 2015, 85: 935–949. doi: 10.1016/j.ijheatmasstransfer.2015.02.035
    [41]
    Chen L, Wang M, Kang Q, et al. Pore scale study of multiphase multicomponent reactive transport during CO2 dissolution trapping. Advances in Water Resources, 2018, 116: 208–218. doi: 10.1016/j.advwatres.2018.02.018
    [42]
    Ma C, Cai B, Zhang L, et al. Acid-catalyzed conversion of cellulose into levulinic acid with biphasic solvent system. Frontiers in Plant Science, 2021, 12: 630807. doi: 10.3389/fpls.2021.630807
    [43]
    Weingarten R, Conner W C, Huber G W. Production of levulinic acid from cellulose by hydrothermal decomposition combined with aqueous phase dehydration with a solid acid catalyst. Energy & Environmental Science, 2012, 5 (6): 7559–7574. doi: 10.1039/C2EE21593D

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