Introduction to process
modelling and simulation
Part 2
Prof. Shushil Kumar
IIT Roorkee
Component continuity equations (Component
balances)
• Unlike mass, chemical components are not conserved.
• If a reaction occurs inside a system, the number of moles of an individual component will increase
if it is a product of the reaction or decrease if it is a reactant.
• Therefore the component continuity equation of the jth chemical species of the system says
[Rate of accumulation of component j ] = [Rate of input of component j] – [Rate of output of component j]+[Rate of internal production of component j]
• Total number of equations will be NC for NC components in a system or NC-1 continuity equation
and 1 total continuity equation.
Component continuity equations
Ex. A CSTR is shown in the figure. Component A reacts irreversibly and
at a specific reaction rate constant k to form product component B.
k
A B
Flow of A into system:
Process modelling, simulation, and control for chemical
engineers by William Luyben
• Ordinary differential equation since there is only one independent
variable
• Left side is dynamic term. The first two terms in the right side are
convective terms. The last term is generation term.
Component continuity equations
• PFR
k
A B
Energy equation: Macroscopic
• CSTR with heat removal, λ= heat of reaction
Additional examples
Additional examples
• Consider the following physical situation of a tank filled with liquid.
The liquid is draining through an orifice.
Component continuity equations
Ex. A CSTR is shown in the figure. Component A reacts irreversibly and
at a specific reaction rate constant k to form product component B.
k
A B
Flow of A into system:
Process modelling, simulation, and control for chemical
engineers by William Luyben
Energy equation: Microscopic
• Example: You are a process engineer in a company named “Dawn Ltd” that produces a speciality
chemical A. The R&D department of the company has discovered a new route to synthesis the
chemical A using a biomass derived component B. The R&D has conducted extensive
experimented and has collected the kinetics data for the reaction which is mentioned below:
k
A + βB C
• Heat of reaction (hr) = -4.18x104 (kJ/mol)
• r = k CACB
• Frequency factor of the reaction (k0) = 172.2 (s-1)
• Activation energy of the reaction (Ea) = 4.18x104 (kJ/kmol)
