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Multiphase CFD: the use of Optimization models and the

importance of full scale in Multiphase Modelling


J os Roberto Nunhez and Collaborators
Faculty of Chemical Engineering, UNICAMP
State University of Campinas
E-mail: nunhez@feq.unicamp.br

J os Roberto Nunhez
Faculty of Chemical Engineering,
UNICAMP State University of Campinas
E-mail: nunhez@feq.unicamp.br






Nicolas Spogis
ESSS South America ANSYS representative
Email: nicolas@esss.com.br


Design of a high efficiently hydrofoil through the use of
computational fluid dynamics and multi-objective optimization
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Solid Suspensions Get a Lift
In a project completed at UNICAMP in
Brazil, an optimization procedure was
applied to the design of an impeller to
illustrate how this approach can lead to
more efficient mixing processes (and
why not other processes?) in general.
The suspension of solid particles in a
stirred tank was used to illustrate the
methodology.

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ANSYS Advantage
ANSYS Advantage
uses real examples.

How engineers,
analysts and designers
can use CFD more
effectively.

Articles detail how
Simulation Driven
Product Development
can reduce
development time,
prototype testing and
time-to-market; and
ultimately help
companies win the race
in product innovation.
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AIChE Journal
AIChE J, V55, issue 7,
pp1723 1735, 2009
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Optimization
Microdigital 1983
29 years
PGQE + L-CFD alone
have in their labs 520
cores with aproximatly 30
TFLOPs capacity;
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Optimization
1950
A6000
LIGHTNIN Mixers - 1994
44 years
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Design of a high efficiently hydrofoil:
Pure Axial Flow
Lack of Radial Flow
Torque Reduction
Saving Costs

Through the use of:
Computational Fluid Dynamics
Multi-Objective Design Optimization

Study Objectives
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Still provide good bottom

mixing when located

2-3 diameters off bottom.

Allows the use of shorter

and smaller diameter shafts
Customer Benefits
Pure Axial Flow
Results in less side force

Lower bending moments

and hence gives

longer life for gear

reducers and shaft seals.
Lack of Radial Flow
Up to 50%
resulting in increase
of the gear reducer life
use of a smaller
gear reducer.
Torque Reduction
Savings in operating costs
combined with first
cost savings
giving the customer
a two-fold benefit.
Saving Costs
Hydrofoil impellers advantages
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CAD and Mesh
Generation
Post Process

CFD Solver
Impeller
Multidisciplinary
Optimization
Impeller optimization steps
Icem Scripts
Batch Scripts
CFX Scripts
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Modeling considerations
Unsteady Navier stokes equations in their
conservation form;
Mass conservation equation;
This work used the Alternate Rotation Model that
solves numerically the absolute frame velocity
instead of the relative velocity;
The Frozen Rotor model was used in a 120
o
sector
of the reactor;

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Modeling considerations
The Shear Stress Transport (SST) turbulence model
was used since it is more accurate and robust for
the prediction of problems involving flow separation;
In order to predict turbulence correctly, it is
important to have at least a layer of control volumes
capturing the effect of the boundary layer, which is
assessed by the dimensionless variable y
+
. The
average y
+
is about 1 for the SST turbulence model.
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Impeller Process Types
Energy Level Process Type P/V Relation (kW/m)
Low level Weak solid suspension
Low viscosity fluids
0.2 kW/m
Moderately Heat transfer
Gas dispersion
0.6 kW/m
High Level Heavy solid suspension
High gas dispersion
Emulsification
2 kW/m
Higher Level High viscosity fluids
Pasta
4 kW/m
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Calculate
New rotation
to keep P/V
-
Solve Np
steady state
-
Solve P/V
steady state
Solid Suspension
transient
Geometry Generation
Mesh Generation
,
Post Process
Np Nq , Variance, etc
Impeller optimization steps
Input Variables
Output Variables
5 3
. . D N
P
Np

3
5
. . Np D
P
N

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Input Variables





Parameters Parameter Value
Tank diameter T = 1m
Height of the liquid H= T = 1m
Bottom clearance C=H/4 = 0.25m



T
H
C
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Input Variables




D/T
R_HD
T _HD
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Variable Minimum Value Maximum Value Discrete / Continuum
Impeller diameter 0.4 0.5 Continuum
Root chord 0.1 0.2 Continuum
Tip chord 0.1 0.2 Continuum
Root chord angle 20 degrees
(related to rotation axis)
70 degrees
(related to rotation axis)
Continuum
Tip chord angle 30 degrees
(related to rotation axis)
95 degrees
(related to rotation axis)
Continuum
Root profile DAE11, S1223, E387, FX 63-137
17 different profiles
Discrete
Tip profile DAE11, S1223, E387, FX 63-137
17 different profiles
Discrete
Input Variables
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Blade Profiles Low Reynolds Hydrofoil
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Vessel solid concentration
variance
Heavy solid suspension
Pure Axial Flow
Lack of Radial Flow



Pumping effectiveness
Torque Reduction
Saving Costs

n
i
i
C C
n
s
1
2
2
1
1
p
q
N
N
P
efect
Objective Functions
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A Sobol's algorithm was chosen
to generate an initial population
of 3000 individuals, than 50
individuals was filtered by a D-
Optimal algorithm in order to
reduce the preliminary
investigation computational time.
DOE - Preliminary investigations
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RSM - Response Surfaces Solid Concentration Variance
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RSM - Response Surfaces Pumping Effectiveness
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DOE Scatter Chart - Preliminary investigations
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Optimization Algorithm
Multi-Objective Genetic
Algorithm (MOGA-II)

MOGAs search method also
has very interesting aspects:
it allows global solutions to be
found
it especially guarantees an
actual multi-objective
optimization, where the Pareto
frontier is defined in the end.

Reproduction operators:
Classical crossover;
Directional crossover;
Mutation;
Selection.
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Pareto Frontier
Dominated Points
Non Dominated Points
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Problems:

Average axial Flow
Average radial flow
High Np Torque
High power consumption
Low solid suspension

Initial Impeller Design PBT 45
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Solutions:

Pure axial Flow
Lack of radial flow
Low Np Torque
Low power consumption
High solid suspension

Optimized Impeller
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Solutions:
Low Hub Separation
Low Tip Vortex
Low Shear

Problems:
High Hub Separation
High Tip Vortex
High Shear

Hub and Tip Vortex
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Experimental tests
In the accomplishment of the
experimental tests an agitation
system was projected that consists:
Vertical Vessel with torospherical
10% bottom;
Sustentation Structure in stainless
steel 316L;
Baffles, made use in the interior of
the tank;
SEW Electric Motor - 1,5 kW;
Control panel;
MAGTROL torquimeter TM 300
series, accuracy <0,1%;
Fluid used on tests: water at 25C.
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Power Number evaluation
6% error
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Solid Suspension
N=290 RPM ->P = 6.09 W
N=172 RPM ->P = 6.06 W
N=390 RPM ->P = 10.54 W N=232 RPM ->P = 11.23 W
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Optimized Blade Design
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Solid Suspension
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Solid concentration variance was
reduced by 48.5%

Power consumption reduced by
84.4%

Pumping effectiveness increased
by 410.2%

When compared to the
performance of a standard
pitched blade impeller (45
degrees constant Tip Chord
Angle PBT45).

Optimized Blade Design
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Industrial hydrofoil impellers
require a higher Power number,
compared to the previous
impeller. It should be ideally
between 0.1 and 0.3
The model was run again using
now another restriction on the
optimization model. We set the
restriction Np > 0.2

The model arrived at a
completely different impeller

Optimized Blade Design Prototype 2
Previous impeller
Prototype 2 impeller
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Optimized Blade Design Prototype 2
VELOCITY
VELOCITY
VECTOR PLOT
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Optimized Blade Design Prototype 2
SOLIDS
CONCENTRATION
STREAMLINES
The Importance of Using Three-Phase 3-D Models in
a Real Scale Simulation of Industrial FCC Risers.
University of Campinas
School of Chemical Engineering
Gabriela Cantarelli Lopes
Email: gacleq@feq.unicamp.br
Leonardo Machado da Rosa
Milton Mori
Email: mori@feq.unicamp.br
Waldir Pedro Martignoni
Jos Roberto Nunhez
Email: nunhez@feq.unicamp.br
Introduction
Published papers
Introduction
What is the FCC process and how does it work?

part of the petroleum refining:
FCC Process
Crude oil
Distillation
residuum
FCC
converts the heavy fractions into more valuable
lighter fractions
Introduction
it is necessary because of the increase on the oil
demand and prices along with the decline of the oil
fields;
large profits result from any further improvement
either in the process, or in the equipments.
Why is the FCC process so important to the refineries?

FCC Process
Introduction
FCC Process
Riser reactor
The need for improvement in the FCC
process calls for advances in:
feed injection technology;
highly active catalysts;
geometric configurations.
Introduction
Experiments Numerical studies

CFD
Multiphase flows

better understanding of the phenomena;
allows the investigation of ways to
improve the performance of the FCC
process.
FCC Process
FCC Process
Literature review

models present
varying degrees of
simplifications and
assumptions.
Complete physical model of the FCC riser
reactor (Source: Gao et al., 2001)
Research Objective
3-Dimensional: test of different geometries

2-Phase 3-Phase

CFD simulations using a sophisticated modeling.
Modeling and Simulation
Eulerian - Eulerian - Lagrangian approach;
solid
gas liquid
Modeling and Simulation
Eulerian Eulerian:
continuous
Conservation Equations: momentum, mass and energy
3-Phase Model
Momentum transfer: Guidaspow drag model;
Heat transfer: Ranz-Marshall correlation;
Turbulence: Reynolds stress model (RSM);
Particle fluctuations: KTGF.
Modeling and Simulation
3-Phase Model
Lagrangian:

discrete
droplet is calculated individually
Trajectory: Gravity + Drag force (Morsi-Alexander);
Heat transfer (gas and droplet) : Ranz-Marshall;
Mass transfer (gas and droplet): difference of concentration.
Modeling and Simulation
Reactions
4-Lump Model:
The set of cracking reactions are simplified



Modeling and Simulation
Setup
Solver: ANSYS FLUENT 12.0;
User-defined functions for heterogeneous
kinetics;
Hexaedrical meshes: 1 million volumes;
Transient simulation: 15 sec. of flow;
16 partitions solved in parallel.
Modeling and Simulation
Geometries
L-shape
T-shape
Previous studies in cold
setup:
Smooth exits: less
turbulence and solid
backmixing. High wear
by friction.
Abrupt exits: less
maintenance.
Modeling and Simulation
Geometries
Cases
gas
+
solid
+
liquid
gas
+
solid
Case 2
gas
+
solid
+
liquid
Case 1 Case 3
Modeling and Simulation
Modeling and Simulation
Operating conditions
Feed (oil mass flux) 20 kg/s
Catalyst-to-oil ratio 7 kg/kg
Steam 7 wt%
Feed oil temperature 500 K
Catalyst inlet
temperature
900 K (2-
Phase)
960 K (3-
Phase)
Droplet diameter 0.1 mm
Flow characteristics
Average cross-section values
Results
Results
Vaporization
Max. res. time: 0.2 seconds
(Gao et al., 2001)
Results
Exit shape effects
Case 1 (L-shape exit) Case 3 (T-shape exit)
Solid velocity streamlines
Results
Case 1 (L-shape exit)
Case 3 (T-shape exit)
Exit effects
Height = 32m
Results
Height = 32m
Exit effects
Results
Exit effects
(Ali et al.,
1997)
9%
Results
Acknowledgements
The students and colleagues mentioned in the
presentation of both works;
Petrobras for the funding of the FCC project;
ESSS for the support on the Optimization
project;
The organizers of the workshop Trends in
Physical and Numerical Modeling for Industrial
Multiphase Flow for the invitation.
Brain storm
Do you believe the use of optimization models with
CFD is a promising way to improve equipments
performance?;
Since turbulence in multiphase flow is hardly
scalable, and both area/volume ratio and shear
stress change both in scaling up/down, do you agree
we should aim at simulating equipments at their real
size?
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Thank you!