CHEMICAL REACTORS

REACTOR MODELING IN ASPEN PLUS

DETERMINING KINETIC PARAMETERS

FOR THE WATER-GAS SHIFT REACTION
Undesired

CARBON DIOXIDE HYDROGEN CARBON MONOXIDE WATER

CO2 H2 CO H2O
REACTOR MODELING IN ASPEN PLUS
−11398.24 −6624.98 PCO × PH2O
122 × e T × PCO2 − 1.1412 × e T ×
CARBON DIOXIDE HYDROGEN CARBON MONOXIDE WATER PH2
rCO = 2068.44 14928.915
CO2 H2 CO H2O PH2O
(1 + 3453.38 × + 1.578 × 10−3 × e T × PH2 0.5 + 6.62 × 10−16 × e T × PH2O )𝟏
PH2

KINETIC FACTORS : DRIVING FORCE (EXPONENTS & COEFFICIENT CONSTANTS) :

k=1 term #1 A = 4.804 / B = -11398.2 / C = 0 / D = 0

E=0 (kinetic factor) x (driving force expression) term #1 Exponent CO2 = 1 / H2 = 0 / H2O = 0 / CO = 0
Rate =
(adsorption term) term #2 A = 0.13208 / B = -6624.98 / C = 0 / D = 0
term #2 Exponent CO2 = 0 / H2 = -1 / H2O = 1 / CO = 1

ADSORPTION TERM (CONCENTRATION EXPONENTS) : n=1 ADSORPTION TERM (COEFFICIENT CONSTANTS) :

Component Term #1 Term #2 Term #3 Term #4

term #4 A = -34.915 / B = 14928.915 / C = 0 / D = 0
CO2 0 0 0 0
term #3 A = -6.451 / B = 2068.44 / C = D = 0
H2 0 -1 0.5 0
term #2 A = 8.147 / B = C = D = 0
H 2O 0 1 0 1
term #1 A= B = C = D = 0
CO 0 0 0 0