; Maillard reaction
;source of data: JFS 67(7), 2534 (2002)
  
STARTTIME=0
STOPTIME=3600
DT=0.5

;order n=1 unit: 1/sec
;order n=2 unit: liter/(mol*sec)

init S=0.100	;sugars
init AA=0.0704	;amino acids
init ARP=0	;Amadori rearrangement products
init PY=0	;pyrroles
init RS=0	;rearranged sugars
init FU=0	;furans
init C=0		;carbonyls
init I=0		;Strecker intermediates
init SA=0	;Strecker aldehydes
init PZ=0	;pyrazines
init MEL=0	;melanoidines (brown polymer products)

;system of differential equations
S'=-k1*S-k2*S*AA
ARP'=k2*S*AA-k3*ARP-k4*ARP
AA'=-k2*S*AA+k4*ARP-k8*C*AA
PY'=k3*ARP-k11*PY
RS'=k4*ARP-k5*RS-k6*RS
C'=2*k6*RS-k7*C*C-k8*C*AA-k11*C
FU'=k5*RS+k7*C*C-k11*FU
I'=k8*C*AA-k9*I-k10*I*I
SA'=k9*I-k11*SA
PZ'=k10*I*I-k11*PZ
MEL'=k11*(PY+FU+C+SA+PZ)

;Geschwindigkeitskonstanten als Funktion von T
k1=exp(32.708393)*exp(-17980.097/degK)
k2=exp(31.785753)*exp(-15447.131/degK)
k3=exp(14.340588)*exp(-8839.9943/degK)
k4=exp(7.75807)*exp(-6379.4632/degK)
k5=exp(25.257561)*exp(-13135.578/degK)
k6=exp(7.671127)*exp(-6787.8969/degK)
k7=0
k8=exp(33.441043)*exp(-11980.370/degK)
k9=exp(23.0414)*exp(-13850.684/degK)
k10=1
;k11=1
;k10=1e10*exp(-99.7/(0.00831451*degK))
k11=1e10*exp(-99.7/(0.00831451*degK))

;k1=1e10*exp(-99.7/(0.00831451*degK))
;k2=5e12*exp(-120.5/(0.00831451*degK))
;k3=6e1*exp(-35.1/(0.00831451*degK))
;k4=1.5e5*exp(-52.9/(0.00831451*degK))
;k5=2e11*exp(-109.3/(0.00831451*degK))
;k6=5e5*exp(-66.5/(0.00831451*degK))
;k7=0
;k8=5e11*exp(-83.1/(0.00831451*degK))
;k9=1e15*exp(-116.3/(0.00831451*degK))
;k10=1e10*exp(-99.7/(0.00831451*degK))
;k11=1e10*exp(-99.7/(0.00831451*degK))

;reaction temperature
degC=150		;°C
degK=degC+273.15	;Kelvin