CHE-F418 - Lecture Slides - Module-6

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Modeling & Simulation in Chemical Engineering

(CHE-F418)

Dr. Jay Pandey


BITS Pilani Assistant Professor, Chemical Engineering
Pilani Campus
Module 6: Modeling of Transport Processes
(Fluid flow, heat transfer & mass-transfer with & without
reaction)

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Distributed-Parameter Model
Distributed parameter systems vary continuously from one point to another, and the system state variables
vary in space and in time. The mathematical description of a distributed system includes partial differential
equations.

“Microscopic balances in distributed parameter systems”

“Control-volume (Δx.Δ.yΔz)”

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Summary_Fundamental Modeling
Lumped-parameter models Distributed-parameter models

 Model is homogeneous and consistent  Model is heterogeneous and inconsistent


throughout entire CV. throughout entire CV.
 Independent variables: only time & 0-D  Independent variables: time & space (1-D to 3-D)

Applications:
Reacting systems (CSTR, Batch reactors) Applications:
• Reacting systems (PFR)
• Mass transport (diffusion)
• Fluid dynamics (momentum transport)
Mass and energy balance of • Energy transport (heat transfer)
lumped systems forms set of
ODEs
Mass and energy balance of
distributed systems forms set
of PDEs

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Lumped Vs Distributed Model

“Set of ODE equations” “Set of PDE equations”

Lumped Model Distributed Model


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Lumped Vs Distributed Model
 Lumped Model: No spatial (x, y, z) variation in temperature, pressure and
concentration. only variation is with time.
(e.g. reaction engineering problems, ODE in nature)

or
“The states (T, P, concentration) in lumped parameter systems are concentrated
in single point and are not spatially distributed”

 Distributed Model: Both time and spatial variation in flows/states (Temp,


pressure and conc.)
(e.g. fluid flow, mass and heat transport, PDE in nature)

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Distributed-Parameter Model Development

 1-D model development (mass & energy balance & momentum


Balance, both steady & unsteady state model)

 2-D model development (mass & energy balance & momentum


balance)

 3-D model development (mass & energy balance & momentum


balance)

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3D-Model Equations: Distributed Parameter Model

“Mass Balance Equation”

“Energy Balance Equation”

“Momentum Balance Equation”

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Mass Balance
1. Total continuity equation applies the law of conservation of mass to the total mass of the system.
2. Component continuity equation applies the law of conservation of mass to an individual component.

Overall mass-balance (Total Continuity equation)

Component mass-balance (Component Continuity Equation)

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Total Continuity Equation

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Total Continuity Equation

For incompressible fluid, constant density,


steady state flow

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Component Continuity Equation
1. Mass continuity equation (mass units)
2. Molar continuity equation (molar units)

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Component Continuity Equation

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Component Continuity Equation
1. Mass continuity equation (mass units)
2. Molar continuity equation (molar units)
(Diffusive & convective terms)

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Component Continuity Equation

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Summary_Conservation of Mass (Diffusion Equation)

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Equation of Change: Cylindrical Systems
Total Continuity Equation  Radial-change in state
 Axial-change in state
 Angular-change in state

Component Continuity Equation

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Problem Statement: Mass Transfer with Diffusion

Assumptions:

Diffusion with chemical reaction inside a slab catalyst

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Problem Statement: Mass Transfer with Diffusion

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Problem Statement: PFR (Diffusion with reaction)

(Dirichlet BC)
(Neumann BC)

(Convection, diffusion & Reaction)

Note: Dirichlet BCs assume the solution to the variable. In Neumann BCs, a solution is assumed for the derivative of the variable.

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PFR (Diffusion with reaction)

Assumption 1: The convective term is much larger than diffusive term (since no catalyst bed)

(RA= -kCA )

(performance equation of a PFR)

Assumption 2: The convective term is negligible compared to diffusive term (for a catalytic bed)

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Energy Balance

Total “energy flux” is the sum of heat flux and bulk flux,

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Energy Balance

Input

output

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Energy Balance

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Summary_Conservation of Energy

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Equation of Change: Cylindrical Systems
Energy Balance Equation

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Problem Statement: Heat Diffusion in a Packed Bed
Reactor

Chemical reactor with packed bed of catalyst

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Problem Statement: Heat Diffusion in a Packed Bed
Reactor

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Problem Statement: Heat Conduction Through a Fin

Assumptions:
1. Steady state condition
2. No convective heat flow
2. If the radius of the rod is very small compared to rod length so
the radial temperature gradient is neglected

BC 1: at z=0, T = TH
BC 2: at z= L, dT/dz = 0
or at z=L, T= Ta

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Heat Conduction Through a Fin

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Momentum Balance
Consider a fluid flowing with a velocity v t( , x y, , z). The flow is assumed laminar. The momentum
is transferred through convection (bulk flow) and by molecular transfer (velocity gradient)

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Momentum Balance
convection (bulk flow)

molecular transfer (velocity gradient)

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Momentum Balance

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Summary_Model Equations: Distributed Parameter
Model

“Mass Balance Equation”

“Energy Balance Equation”

“Momentum Balance Equation”

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Equation of Change: Cylindrical Systems
Momentum Balance Equation

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Problem Statement: Fluid Flow Through Pipe

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Fluid Flow Through Pipe

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