1.

Specification of Lignocellulosic Composition (dry basis)

Comp. Cellulose Hemicellulose Lignin Ash Acids Extractive

%w 49.5 13.07 27.71 1.26 4.19 4.27
Note: 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

kf;ks k2
Xylan -----------> Xylose -----------> Furfural

k3 k4
Cellulose -----------> Glucose -----------> Hydroxymethylfurfural (HMF)

Temperature of hydrolysis 413.15 K <-- specified in sheet 'H+ Estimation'

Corrected hydrogen ion concentration 0.063 (mol/L) <--- from calculation done in sheet 'H+ Estimation'
pH 1.20

kf (rate constant for fast reacting xylan) 1.40E-01 min-1

ks (rate constant for slow reacting xylan) 1.20E-02 min-1
k2 (rate constant for xylose decomposition) 0.02 min-1
k3 (rate constant for cellulose hydrolysis) 0.002 min-1
k4 (rate constant for glucose decomposition) 0.0004 min-1

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 3. Calculation of product composition from wood hydrolysis

Specify time for hydrolysis 40 min 2400 s

Xylan remaining 0.20 weight fraction of initial xylan
Xylose remaining 0.54 weight fraction of initial xylose
Cellulose remaining 0.94 weight fraction of initial cellulose
Glucose remaining 0.98 weight fraction of initial glucose

Xylan ---> Xylose ----> Furfural

initial 13.07 10.48
reacted 10.48 4.83 4.83
product 2.59 5.65 4.83

Cellulose ---> Glucose ---> HMF

initial 49.5 2.89
reacted 2.89 0.05 0.05
product 46.61 2.84 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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