Sheet 'main Calculations' Of Biomass Hydrolysis

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

2. Calculation of rate constants

1. Input data in yellow cells 2. Calculated data are in green cells

Reaction Mechanism of Lignocellulosic Hydrolysis

Xylan

kf;ks ----------->

Xylose

k2 ----------->

Furfural

Cellulose

k3 ----------->

Glucose

k4 ----------->

Hydroxymethylfurfural (HMF)

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

<-- specified in sheet 'H+ Estimation' <--- from calculation done in sheet 'H+ Estimation'

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

40 0.20 0.54 0.94 0.98

Xylan ---> 13.07 10.48 2.59

Xylose ----> 10.48 4.83 5.65

Furfural

initial reacted product

Cellulose ---> 49.5 2.89 46.61

Glucose ---> 2.89 0.05 2.84

HMF

initial reacted product

min weight weight weight weight

2400 s fraction of initial xylan fraction of initial xylose fraction of initial cellulose fraction of initial glucose

4.83 4.83

0.05 0.05

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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