CFD: When Good Models Go Bad

I was watching a video on YouTube where kids react to old computers. It was great to watch their astonished reactions to an ancient looking computer (the Apple IIe) that we considered advanced in the eighties. When the interviewer mentioned that today’s cell phones are almost a thousand times more powerful than that big grey box in front of them, it occurred to me how fortunate I have been to witness this great development of computing power. The incredible advance of computer chips follows Moore’s Law. For those who don’t know it, it is an observation made in a 1965 paper by Gordon Moore, the co-founder of Intel. He predicted that the density of integrated circuits would double every year for at least a decade. It was later adjusted to doubling every two years and that rate is still, amazingly enough, applicable.

In the world of Computational Fluid Dynamics (CFD) it means that serious simulation capabilities are now within reach for anyone that can afford a 1500-dollar laptop. But more computing power does not automatically increase the chance of success; there are plenty of recent examples where CFD predictions have been somewhat or completely wrong, especially in the trickier ones such as those that involve combustion and radiation.

In general, the best simulation results are typically achieved when the correct answer is known beforehand! And that is the case for CFD too.

For instance, using a steady-state assumption for a problem that is in fact unsteady or transient either results in a convergence issue or worse, a completely wrong answer.

 

The user must already have a good grasp on…

  • the flow phenomena that are to be simulated?
  • what is the flow regime?
  • what is the dominant heat transfer mode?
  • is the combustion mixing rate limited or kinetically limited?
  • is the flow steady-state or more of a transient nature?
  • does gravity play a role?

CHALLENGES IN CFD MODELING OF COMBUSTION SYSTEMS

Problems arise when a user of a simulation code is more focused on the numerical results (i.e. solution convergence) than on the simulation results.

Another problem can be caused by the myriad of models that are accessible in commercially available CFD codes, with each of these models having a plethora of tunable parameters. For example, ANSYS Fluent offers more than a dozen turbulence models, just for steady state simulations. A user will be easily lured by the advanced features of the newer models that can account for a wider range of flow phenomena. However, combustion models that use turbulent mixing rate like the Magnussen-Hjertager model have been developed and tuned in the 1970s using the standard k-e turbulence model. Using it in combination with a more modern turbulence model without retuning the mixing constants can result in drastically different (and wrong) results.

KEYS TO SUCCESSFUL CFD MODELING

Good CFD results are easier to obtain when the simulation focuses on one type of flow issue like the aerodynamics of objects such as cars and plane wings. Good CFD results are also likely when experimental data are available to demonstrate the validity of the simulation approach. Think of combustion test data, wind tunnel results or similar lab data that are obtained under known and controlled conditions. Problems are more likely to occur when CFD simulation is attempted without knowing the expected results or having any experimental data for validation. In any case, product engineers and simulation experts need to collaborate to ensure the proper model approach is used and that the simulation results make sense.

THE NEED FOR CFD STANDARDS

Engineers performing CFD simulation consider a variety of constraints – computing resources, time available to complete project, the desired information sought from the simulation and the modeling assumption that help simplify the real-world problem into a realizable, non-trivial CFD simulation.

This engenders numerous approaches across the board for the same type of CFD simulation and hence, beget a variety of outcomes that each could lead to different engineering judgement.

To aid proper decision making, customers using CFD analysis need to understand the quality and limitations of the CFD analysis. The simulation report may contain details specific to the project, but it does not enable categorizing the analysis to a specific standard.

There is a clear need to set up industry standards or specifications that will help customers use results from CFD simulation in a consistent and reliable manner. This includes mesh resolution, convergence and physics models used.

For example, a perforated plate may be modeled as a porous resistance without any details of the perforation. This can be certified as a Level 1 analysis. In many instances, this may be adequate detail to answer the question at hand. In another instance, an accordion style perforated plate may be required to model with the complete details of the accordion plate and the perforations on it to study wake modeling and flow mixing, say, of aqueous ammonia from AIG lances into the flue gas stream. This could be certified as a Level 3 analysis. Furthermore, if the analysis includes heat transfer effects including conjugate heat transfer, then it could be certified as a Level 5 analysis.

Each of the analysis approaches are valid approaches for CFD but the suitability of the analysis depends on the customer request and the intended use of the analysis.

We welcome our readers to share their experience and difficulty in estimating the suitability, goodness and fit of the CFD analysis provided to them and their ability to make engineering decisions based on them.

  • Cramming more components onto integrated circuits – Moore, Gordon E. – Electronics Magazine (1965) p. 4.
  • On mathematical modeling of turbulent combustion with special emphasis on soot formation and combustion – B.F.Magnussen, B.H.Hjertager – Symposium (International) on Combustion – Volume 16, Issue 1, 1977, Pages 719-729
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ERWIN PLATVOET
As CTO of XRG, Erwin is a true innovator, whose career spans more than three decades in heat transfer and combustion industries. Erwin is a graduate of Twente University in the Netherlands with a MS in Chemical Engineering. Erwin has served the industry around the globe in a variety of roles including Research and Development Engineer, Cracking Furnace Specialist, and Director of Engineering, and now CTO. Erwin holds eight patents in fired heat transfer and emissions control technology, has published numerous papers, and co-authored the John Zink Combustion handbook and Industrial Combustion Testing book. Erwin has been an active member of the API 560 and API 535 subcommittees and taken an active role in revising these standards.
BAILEY HENDRIX
Bailey graduated from Oklahoma State University with a Bachelor of Science in Mechanical Engineering. Upon graduation, she joined the private sector as an Applications Engineer in Tulsa, OK at a local combustion company where she managed the sales activities for the process burner refining market. She quickly accelerated her career, becoming the Refining Account Manager responsible for all business development and sales of process burners in North and South America. Her strong leadership skills and interpersonal qualities led her to a position as the Western Hemisphere Sales Director for the process burner business, leading a group of sales engineers in the areas of new equipment, retrofits and burner management systems. Her financial and commercial acumen drives the success of XRG Technologies’ business development.
ALLEN BURRIS
Allen’s background includes 10 years of experience in designing and selling process burners. Allen is a graduate of Oklahoma State University with a BS in Mechanical Engineering and is a licensed professional mechanical engineer in the State of Oklahoma. His knowledge and superior customer focus led him to a career change to process design, custom-engineered fired heater sales, and associated sub-systems for the petrochemical, refining and NGL industries. With more than two decades of experience in the combustion and fired heater industry, Allen has what it takes to overcome challenges associated with complex projects and possesses.
TIM WEBSTER
With over 25 years of experience in the combustion industry, Tim brings a wealth of industry experience and technical expertise to XRG. Tim graduated with a Bachelor of Science in Mechanical Engineering from San Jose State University and received a Master of Engineering from the University of Wisconsin. Tim began his career engineering custom combustion systems for a wide range of applications including boilers, heaters, furnaces, kilns, and incinerators. Tim is a licensed professional mechanical engineer in the states of California, Texas, Louisiana and Oklahoma, has authored numerous articles and papers, and has co-authored several combustion handbooks.
matt martin
As the Lead Scientist at XRG, Matt has over 30 years of experience in the combustion industry. He specializes in CFD of fired equipment, including UOP platforming heaters, burners in process heaters, thermal oxidizers and flares with over 300 simulations of installed, field-proven equipment. Matt received a Bachelor of Science in Computer Science with a minor in Mathematics from the University of Tulsa. He has written numerous publications, is listed as inventor or co-inventor on 27 patents and was awarded the title of Honeywell Fellow in 2011 for technical excellence and leadership.
gina briggs
Gina is a native Oklahoman and attended the University of Tulsa, graduating with a BSBA in Accounting. She is a Certified Public Accountant and Chartered Global Management Accountant. Gina began her career with the Tulsa office of Deloitte Haskins and Sells, providing audit and tax services. Since leaving Deloitte, she has held CFO positions with privately held companies in the manufacturing, construction and distribution industries. In 2013, she began a consulting practice providing contract CFO services to companies, one of which was XRG and joined XRG as CFO in 2019. Gina has always enjoyed working in the small business arena, helping business owners to profitably grow and manage their businesses.