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Table 3 Fitted rate parameters and activation energies for secondary hydrothermal reactions of wheat straw

From: The kinetics of inhibitor production resulting from hydrothermal deconstruction of wheat straw studied using a pressurised microwave reactor

Liquor ratio

Parameters

Furans

Fur-sim

Acetic acid

Ac-sim

Formic acid

  

Co(g/kg)

ks(min−1)

k2(min−1)

k3(min−1)

k4(min−1)

R2

Cinf(g/kg)

kac(min−1)

R2

Kf(min−1)

10:1

 

Kinetic modelling (not including formic acid)

      
 

180°C

235

0.040

0.019

0.0016

0.0021

0.994

31 (12)

0.0076 (0.0051)

0.993

0

 

200°C

235

0.219

0.060

0.0053

0.0138

0.978

30 (7.2)

0.0214 (0.011)

0.983

0

 

220°C

235

0.993

0.211

0.0183

0.0684

0.984

32 (6.6)

0.072 (0.033)

0.972

0

10:1

 

Arrhenius analysis (not including formic acid)

      
 

E (kJmol− 1)

 

149 (16, 1.2)

112 (68, 4.9)

113 (49, 3.8)

166 (78, 6)

  

104 (93, 7.4)

  
 

R2 of Arrh fit

 

0.999

0.997

0.998

0.998

  

0.995

  

4:1

 

Kinetic modelling (not including formic acid)

      
 

200°C

235

0.219

0.12

0.017

0.031

0.997

28 (2.8)

0.040 (0.009)

0.992

0

10:1

 

Kinetic modelling (including formic acid)

      
 

180°C

235a

0.04a

0.010

0.0037

0.0021a

0.994

   

0.0018

 

200°C

235a

0.219a

0.027

0.0083

0.0138a

0.976

   

0.0052

 

220°C

235a

0.993a

0.079

0.0394

0.0684a

0.935

   

0.0173

10:1

 

Arrhenius analysis (including formic acid)

      
 

E (kJmol− 1)

 

149a

95(51, 4.1)

109 (^, 22.7)

166a

    

105 (80, 6.4)

 

R2 of Arrh fit

  

0.998

0.958

     

0.996

4:1

 

Kinetic modelling (including formic acid)

      
  

235a

0.219a

0.033

0.055

0.031a

0.981

   

0.0061

  1. Single or first number in brackets, ±95% confidence limits of parameter estimation; second number in brackets, ± standard error of parameter estimation. aUnchanged from results with Kf = 0. ^Above high limit.