1. Specification of Lignocellulosic Composition (dry basis) Comp. %w Note: Cellulose Hemicellulose Lignin Ash Acids Extractive 49.5 13.07 27.71 1.26 4.19 4.

27 In the reaction mechanism, hemicellulose is represented all by xylan Lignin, ash, and extractives are parts of wood which can not be hydrolized All acids in wood can be assumed solubilized into hydrolysate solution Extractives are low molecular weight organic materials in wood 1. Input data in yellow cells 2. Calculated data are in green cells

2. Calculation of rate constants Reaction Mechanism of Lignocellulosic Hydrolysis kf;ks -----------> k3 -----------> k2 -----------> k4 ----------->

Xylan

Xylose

Furfural

Cellulose

Glucose

Hydroxymethylfurfural (HMF)
<-- specified in sheet 'H+ Estimation' <--- from calculation done in sheet 'H+ Estimation'

Temperature of hydrolysis Corrected hydrogen ion concentration pH
kf (rate constant for fast reacting xylan) ks (rate constant for slow reacting xylan) k2 (rate constant for xylose decomposition) k3 (rate constant for cellulose hydrolysis) k4 (rate constant for glucose decomposition)

413.15 K 0.063 (mol/L) 1.20 1.40E-01 1.20E-02 0.02 0.002 0.0004 min-1 min-1 min-1 min-1 min-1

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3. Calculation of product composition from wood hydrolysis Specify time for hydrolysis Xylan remaining Xylose remaining Cellulose remaining Glucose remaining Xylan ---> 13.07 10.48 2.59 Cellulose ---> 49.5 2.89 46.61 Xylose ----> 10.48 4.83 5.65 Glucose ---> 2.89 0.05 2.84 40 0.20 0.54 0.94 0.98 Furfural 4.83 4.83 HMF 0.05 0.05 min weight weight weight weight 2400 s fraction of initial xylan fraction of initial xylose fraction of initial cellulose fraction of initial glucose

initial reacted product

initial reacted product

Mass Balance in Hydrolysator Output (kg) Component Input (kg) In Solution In Residue Xylan 13.07 2.59 Cellulose 49.5 46.61 Lignin 27.71 27.71 Ash 1.26 1.26 Acids 4.19 4.19 Extractives 4.27 4.27 Xylose 0 5.65 Glucose 0 2.84 Furfural 0 4.83 HMF 0 0.05 Subtotal 100 17.56 82.44 Total 100 100.00

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