2

Graz, WS 2016/17

TU Graz I Institute of Chemical Engineering and Environmental Technology

Susanne Lux, Daniela Painer,

Matthus Siebenhofer

Graz, WS 2016/17

Part 3
Nonisothermal Reactor Design

Chemical Reaction Engineering I

TU Graz I Institute of Chemical Engineering and Environmental Technology

Susanne Lux, Daniela Painer,

Matthus Siebenhofer

Chemical Reaction Engineering I

667.107 and CHE.806

Chemical Reaction Engineering I

solid
liquid
aqueous
gaseous
vaporous

TU Graz I Institute of Chemical Engineering and Environmental Technology

e.g:

Temperature dependency

Standard enthalpy of reaction

Chemical Reaction Engineering I

Graz, WS 2016/17

H R0

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standard enthalpy of formation

TU Graz I Institute of Chemical Engineering and Environmental Technology

s
l
aqu
g
v

states of matter:

Hf0 [kJ/mol]

Standard enthalpy of reaction HR0

Basics (summary)

Chemical Reaction Engineering I

T S

G= H

work can be obtained

enthalpy, from which

TU Graz I Institute of Chemical Engineering and Environmental Technology

e.g.: at T = 298 K
GR0 = - R T ln K298

Equilibrium: GR = 0

GR = HR T SR
GR = GR0 + R T lnK

Reaction: aA + bB = cC + dD

Law of Mass Action

Chemical Reaction Engineering I

TU Graz I Institute of Chemical Engineering and Environmental Technology

kT

G= H

(of reaction)

enthalpy

H
+

Graz, WS 2016/17

Graz, WS 2016/17

work cannot be obtained

enthalpy, from which

Hbound

Enthalpy and Free Enthalpy (Gibbs Enthalpy)

Reaction equilibrium

Chemical Reaction Engineering I

K < 10-10

no reaction

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f(T)

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Simplification: HR0, SR0

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Temperature dependency of equilibrium

Chemical Reaction Engineering I

TU Graz I Institute of Chemical Engineering and Environmental Technology

GR0 > 60

1 > K > 10-10

0 < GR0 < 60

reactants predominate at
equilibrium

products predominate at
equilibrium

1 < K < 1010

- 60 < GR0 <0

Type of reaction

irreversible reaction

Equilibrium
constant K298
K > 1010

GR0 < - 60

Gibbs standard free

energy of reaction
GR0 [kJ/mol]

Law of mass action

Chemical Reaction Engineering I

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system W

input Q

H1 = m CP T1
H2 = m CP T2

heat input:
heat output:

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heat flow/power:

heat of reaction:

temperature changes:

consideration of

enthalpy of reaction:

aA + bB = cC + dD

reaction:

Basics

Chemical Reaction Engineering I

TU Graz I Institute of Chemical Engineering and Environmental Technology

work done by

energy

energy, which is stored

within the system dU/dt

Graz, WS 2016/17

(why?)

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by mass flow Fm,out

by mass flow Fm,in

W = dU/dt

energy output Eout, removed

Fm,out Eout + Q

energy input Ein, added

Fm,in Ein

Open system, energy balance

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(CP0 in [kJ/(kgK)])
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CP = constant and

density of mass of reaction

NiMMi

(refers to mass of batch!)

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Batch reactor, adiabatic operation

Chemical Reaction Engineering I

TU Graz I Institute of Chemical Engineering and Environmental Technology

convective heat transfer:

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(refers to mass of batch!)

(refers to mass of batch!)

(TW = temperature of heat transfer medium)

isothermal operation:

(refers to moles of reactants!)

With cooling

Batch reactor (discontinuous)

Chemical Reaction Engineering I

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volumetric flow [ m3/time ]

FV,0 ( 0)

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[kg/m3]

;n=1

HR [kJ/mol]

Cp [kJ/mol/K];

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c [kmol/m3];

Cp [kJ/kg/K]; HR [kJ/kmol];

3. Stoichiometry

2. Reaction rate

1. Mole balance

Example: aA

k0

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Watch out!!!

Plug flow reactor, adiabatic operation

Chemical Reaction Engineering I

TU Graz I Institute of Chemical Engineering and Environmental Technology

mass flow of reactants[kg/time]

Fm,0 (m0)

Plug flow reactor, adiabatic operation

Chemical Reaction Engineering I

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15

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TU Graz I Institute of Chemical Engineering and Environmental Technology

calculation
1. set XA
2. calculate T from energy balance
3. calculate k from T
4. calculate K from T
5. calculate rA
6. calculate FA,0/-rA

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Example: Plug flow reactor (equilibrium, n = 1)

Continuous-flow reactor adiabatic reaction

Chemical Reaction Engineering I

TU Graz I Institute of Chemical Engineering and Environmental Technology

Continuously-stirred tank reactor, isothermal

Chemical Reaction Engineering I

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equilibrium:

adiabatic reaction:

cA = cA,0(1 - XA) and cB = cA,0XA

Watch out!!!

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k0

Example: Plug flow reactor (equilibrium, n = 1)

Continuous-flow reactor adiabatic reaction

Chemical Reaction Engineering I