Cover Story

Parti

CFD: Driving
Engineering Productivity
This article provides an overview of how computational fluid dynamics (CFD) works, and what
benefits it can bring to the chemical process industries
Hossam ustainability, waste Ansys

S
Metwally reduction, energy
Ansys Inc.

efficiency and in­

creased demand for
IN BRIEF engineered material are driving
CFD DEFINED process engineers to continu­
ously investigate new products
EXECUTING CFD
and processes, and develop
SIMULATIONS
ways to improve process and
HIGH-PERFORMANCE equipment safety, efficiency
COMPUTING and reliability.
ADVANCED CFD
To accomplish this, engi­
SOFTWARE neers can leverage advanced
product-development model­
ing tools, such as computa­
tional fluid dynamics (CFD), to
conduct simulations that repli­
cate the near real-life operating
conditions of a plant or mimic
product performance require­
ments. This virtual testing re­
quires just a fraction of the time
and cost of laboratory-scale or
pilot-plant testing. It also re­
duces the need for expensive
prototypes, delivers improved
product quality and helps
speed products to market.
CFD defined
Process engineers are familiar
with plant design software and FIGURE 1. Particle pathways
general mathematical modeling in the separation of solid par­
tools for process optimization. ticles from gas in a cyclone
can be modeled by CFD
CFD is a branch of engineer­
ing simulation that solves the
physics of fluids with or without heat trans­ solution methods prior to physical testing.
fer, mass transfer and chemical reactions, Alternatively, CFD simulations can provide
and is used for the design and analysis of operational support for troubleshooting,
equipment and unit processes. The idea is throughput improvement, process scaleup
to predict, and design around, transport- (and scaledown), and improving product
related problems using detailed numerical- quality and plant yield. The simulation can be

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CHEMICAL ENGINEERING WWW.CHEMENGONLINE.COM NOVEMBER 2019
steady or dynamic - 2D or 3D - and set of mathematical equations that same general workflow, divided into
subjected to initial, boundary and represent the problem of interest. four basic phases: model objective
flow operating conditions. CFD remains key for selecting and and domain extent, pre-processing,
The use cases for which CFD solving the physics-based equations solving and post-processing.
can be applied are unlimited, but ‘‘numerically,’’ since these equations Model objective and domain ex­
examples of unit processes include are essentially impossible to solve tent Before initiating a CFD model,
separation (Figure 1), mixing (Figure analytically. CFD’s numerical or com­ a clear description of the problem
2), heat-transfer systems, flow mea­ putational methods convert these must be developed. What exactly
surement and control, and reactors equations into clear, linear algebraic needs to be modeled? What are
of all types, including packed-bed equations and solves them numeri­ the quantities of interest that should
and fluidized-bed reactors. The CFD cally. Every CFD problem has the be obtained from the model (for
simulation results can be used to
optimize the product at concept de­
velopment, product design inception
or for equipment already deployed
in the field. The key element of suc­ Paratherm Heat Transfer Fluids:
cessfully applying CFD is the ability
of CFD algorithms to allow the simu­
lation of complex physical flow phe­
CHANGING the GAME
nomena within complex machinery
under realistic process conditions
accurately and reliably.
CFD offers major advantages for
the design and analysis process. Vi­
sualizing complicated flow features
inside equipment can be quite com­
plex. CFD enables engineers to cre­
ate and explore “what if’ simulated
scenarios, providing them with de­
tailed and comprehensive insights on
r ©

flow fields, allowing them to virtually

look inside their equipment. This en­
ables the analysis, optimization and
verification of design performance
before building costly prototypes or £7

)
undergoing time-consuming trial-
and-error physical testing.
Simple CFD problems can be
solved on laptops (for more informa­
SERVICE
tion on CFD models using laptops,
Industry leading customer service featuring 24/7 availability
see Part 2 of this feature, pp. 33-
39). More sophisticated problems — PERFORMANCE
in terms of physics or problems size Superior product quality, efficiency & thermal stability
— may require high-performance
computing (HPC) that offer large COMPATIBILITY
clusters with countless cores and Comprehensive product portfolio gives users options to
terabytes of memory, delivering dra­ replace existing fluids
matically reduced turnaround times AVAILABILITY
for complex simulations. Competitively priced, globally stocked — drums, totes & bulk options

Executing CFD simulations TECHNICAL SUPPORT

Executing a successful CFD simu­ World class expertise and in-house fluid analysis laboratory
lation that delivers meaningful end
results requires considerable under­
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standing of the problem being inves­ Id Paratherm
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tigated. This typically involves the Int'l: +1 610-941-4900 Fax: +1 610-941-9191
physics of fluid flow, mixing, chemi­ go.paratherm.com
cal reaction and heat transfer. To
achieve this, engineers must solve a For details visit adlinks.chemengonline.com/73860-22

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CHEMICAL ENGINEERING WWW.CHEMENGONLINE.COM NOVEMBER 2019
 relevant geometrical features that will impact
flow. Any unnecessary details or features
should be omitted at this point.
Next, the discretization (mesh generation)
of the flow domain plays a crucial role in the
CFD workflow. While this used to be the most
labor-intensive and time-consuming part of
simulation, recent advances have streamlined
this step tremendously. During discretiza­
tion, CFD divides the CAD model into a finite
number of discrete, small, individual regions
called cells. This is analogous to a digital pho­
tograph where millions of pixels compose a
single complex image, with each pixel pos­
sessing its own unique color. Analysts must
strive for the optimal mesh that will capture
flow features of interest, while keeping the
overall model size in check.
To calculate the numerical solution in these
individual cells, CFD computes all the flow
variables (such as pressure and velocity)
at the center (or node) of each cell, based
on the values of velocity and pressure of its
surrounding nodes. A large number of cells
increases the solution’s accuracy, but also
increases the number of equations that must
be solved.
Solving. After discretization, the model can
be set up for simulation. The set-up process
involves the definition of the following:
• Boundary (or process) conditions, such as
inlet flowrates, temperature and impeller
speed (revolutions per minute)
FIGURE 2. Shear rate varia­ example, pressure drop, flow distribution, • Physics, including laminar versus turbulent
tions in two planes passing
through the impellers of a
concentration of various materials, and so flow, steady versus unsteady, and so on
mixer can be shown with CFD on)? Then comes the question of what the • Material properties, such as density, viscos­
domain extent for that CFD model should ity, thermal conductivity and specific heat
be (for instance, a mixing tank or a heat After the solver and physics model are
exchanger). The next step is to discern established, the flow field can be solved.
whether all the process (boundary) condi­ During the computing process, the solution
tions are known (such as inlet conditions must be monitored as modeling iterations
and heating/cooling controls). Another are executed. This helps to understand the
important ingredient in CFD modeling is accuracy of the physical models, discretiza­
the definition of material properties for the tion and problem setup.
various ingredients. Finally, the CFD model Post-processing. Post-processing is the
must be made as efficient as possible by last step in the CFD workflow. In this step,
figuring out what simplifying assumptions the obtained results are visualized, analyzed
can be made, in terms of physics, process and interpreted. CFD provides both quanti­
conditions and even geometry. tative and qualitative insights. Examples of
Answering these questions in CFD model­ quantitative results include flow, concentra­
ing provides “rigor" to the engineering pro­ tion and temperature contours across the
cess, which by itself helps with the definition, domain. On the other hand, examples of
documentation, repeatability and scalability qualitative results include information like
of the process. the average temperature exiting the sys­
Pre-processing. During pre-processing, the tem or the total pressure drop experienced.
first step is to prepare a geometrical com­ Based on the results, the appropriateness
puter-assisted design (CAD) model for CFD of the selected discretization resolution and
modeling purposes. The idea is to have a the physical model is measured and revis­
CAD representation that only contains the ited as necessary.

30
CHEMICAL ENGINEERING WWW.CHEMENGONLINE.COM NOVEMBER 2019
CFD for improving operations
CFD enables engineers to maximize throughput, innovate on new products,
EKATO www.ekato.com
enhance process stability across the plant, drive sustainability and develop
new processes more efficiently. The following are examples of how CFD can
be applied to improve each of these.
Flow distribution. Most chemical companies do not design their own plant
equipment; rather, they own assets and operate them. The key issue is
throughput and finding new ways to push more material through produc­
tion. Can they get more from their assets than they already have? How
can they manage flow distribution to avoid erosion, corrosion and extra
pressure drops? How will existing assets behave under different products
or materials?
CFD delivers both a virtual visualization of the flow, as well as a quantita­
tive description of how uniform or non-uniform the flow will behave across
any section of the system (Figure 3). Empowered with this predictive model­
ing, engineers can best determine how to ensure flow uniformity throughout
the entire system to better maximize throughput, yield and the operational
efficiency of plant equipment.
Scaleup. CFD is also instrumental for supporting the scaleup process, es­
pecially in the chemical and pharmaceutical industries. During this process,
engineers run experiments inside a laboratory on a much smaller piece of
equipment to be tested. This bench- or laboratory-scale equipment is used
to develop the product. Then, through the scaleup process, questions of
how this product can be manufactured on the commercial scale are an­
swered. CFD is used to estimate how the commercial-scale process will
perform and the corresponding outcome on the product.
Process stability. CFD also helps drive process stability. Chemical engi­
neers must manage problematic issues, such as rust buildup in pipelines AGITATORS
and fouling, erosion, hotspots, dead spots and cold spots in chemical
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plants. Through CFD modeling, engineers can predict and identify these
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enhanced level of efficiency, reduce downtime and help ensure safety. Also,
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Enhanced efficiency. Companies that employ CFD have better insights
into their processes. This enables them to operate their equipment at
lower cost, potentially reduce emissions and delay unwanted mainte­
nance. Using the additional insight from CFD, plant operators can reduce Inform yourself about our current
material waste tremendously. workshop and seminar program:

Within the chemical industry, engineers focus on reducing the time and ef­
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fort required to develop new processes or redesign or retrofit existing equip­
workshops-andseminars/
ment. Achieving this while the plant is in production can be prohibitively
expensive and disrupt plant operations. However, this can be accomplished
offline virtually with CFD.

High-performance computing
As with other aspects of engineering, CFD offers varying levels of fidelity. As
the complexity of the problem increases, engineers may use more compu­ Your fast lane to production:
tational points or look at transient aspects of a given problem. Advanced Phone: 1 201 825 4684 Ext.: 205
CFD tools provide different modeling capabilities that can run on anything [email protected]
from a standard laptop to a high-performance computing (HPC) system.
Leveraging highly scalable HPC unlocks virtually unlimited compute capac­
ity. This enables engineers to rapidly run complex, large model, high-fidelity
CFD simulations, perform parametric studies and remove any restrictions
that could compromise a design, cutting months off development cycles
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31
CHEMICAL ENGINEERING WWW.CHEMENGONLINE.COM NOVEMBER 2019
 ArtSyS traditionally needing to wait a full day.
Additionally, through parametric opti­
. mization, engineers can quickly review
numerous design variations to select an
optimum design.
The HPC hardware itself may be phys­
ical (on premise), in the cloud or a com­
bination of both, depending on the local
engineering workload and the site's in­
formation technology (IT) infrastructure.

Advanced CFD software

Tasked with accomplishing more in less
time, engineers are turning to leading
software providers for enhanced CFD
solutions. Equipped with built-in auto­
mation of a task-based workflow, cut­
ting-edge CFD software can boost user
productivity by reducing the learning
curve, decreasing probability of human
error and reducing human input. Com­
plicated models that formerly required
days or weeks to mesh now require
only hours, and still deliver high simu­
lation accuracy. Additionally, engineers
can obtain answers to their design
FIGURE 3. This diagram shows a visual­ and expediting the launch of new prod­ questions sooner, while also exploring
ization ofthe flow through a static mixer
ucts. According to an internal study, a larger variety of design options in the
with hot and cold fluids
computing power limitations cause same timeframe as before.
90% of businesses that run simulations CFD continues to slash design cy­
to make modeling concessions by limit­ cles, reduce costs and drive unprec­
ing the size of their meshes or making edented innovation. Disrupting the sta­
physics models less complicated so tus quo of product development, CFD
they can be completed quickly to meet enables engineers with next-generation
tight schedules. capabilities to create highly accurate
designs that increase production flows,
improve stability, promote sustainability
and significantly improve processes. As
engineers continue to harness the pow­
erful capabilities of HPC and new CFD
According to an internal study, computing power software, complex models are solved
limitations cause 90% of businesses that run simulations faster than ever, enabling companies to
deliver new products to market with un­
to make modeling concessions in order to meet tight
matched speed. ■
schedules Edited by Scott Jenkins

Author
Hossam Metwally is a principal appli­
cation engineer at Ansys Inc. (2600
Ansys Drive. Canonsburg, PA 15317;
HPC computing eliminates those Phone: 844.462.6797; Email: hossam.
constraints, allowing engineers to gen­ [email protected]), In his current
role. Metwally leads a group of engi­
erate and analyze computationally dif­
neers focusing on business develop­
ficult simulations using hundreds of ment for the chemicals, power, pharma­
compute cores to gain additional insight ceuticals and consumer products
industries. Metwally is Involved In tech­
into their design's performance. Utilizing nical and sales support, training, technical marketing, testing,
affordable distributed hardware instead documentation revisions and business development for
of costly workstations to create their chemicals, rubber, glass and polymer processing companies.
He obtained a Ph D. in mechanical engineering from the Uni­
simulations, engineers can view their versity of Cincinnati in 2002. Metwally joined the consulting
results in a couple of hours instead of group in Fluent, Inc. (now part of Ansys Inc.) in 2001.

CHEMICAL ENGINEERING WWW.CHEMENGONLINE.COM NOVEMBER 2019