Computational Tools and Techniques

Session Chairs

• Onkar Manjrekar, Abbvie
• Azita Ahmadzadeh, UOP Honeywell

Session Description

Computational models have emerged as a valuable methodology and tool for describing various multi-physics phenomena over a wide range of time and length scales . Computational Fluid Dynamics (CFD) models play a key role in providing insight and guiding successful execution of processes in chemical, petrochemical and pharmaceutical industry. In this session, the focus will be on application of CFD in development and optimization of process in chemical, petrochemical and pharmaceutical industry.

*All session and speaker information is subject to change pending finalization

Schedule:

Abstracts:

Application of Computational Fluid Mechanics (CFD) and Discrete Element Methods (DEM) in Pharmaceutical Process Development

Kushal Sinha, Abbvie

FCC Regenerator Design and Improvement Using CFD and Kinetic Modeling Tools

Lev Davydov, UOP Honeywell

CFD→Reactor Network→Kinetic Model→Process Model→Economical Design→Value

Simulation and modeling have become practical diagnostic and predictive tools for large-scale industrial processes and equipment, allowing industrial scientists and engineers to perform “numerical experiments” during different stages of research, development and engineering design.  For example, regeneration of catalysts in the Fluid Catalytic Cracking (FCC) process in different flow regimes can be simulated using a detailed CFD model combined with the simplified reaction kinetics. Results from such a model can help make informed decisions on the design and operating conditions for better process performance, improved energy efficiency and increased operating sustainability.

This presentation gives a brief overview of different approaches to gas-particle CFD as they apply to different FCC regenerator configurations. Flow patterns inside these vessels directly affect their performance and efficiency (of carbon burn and oxygen use) and serve as a qualitative guide to regenerator design improvement. “Numerical tracer” studies can provide a quantitative demonstration of the differences in residence time distributions of both catalyst and gas phase in different regenerator types. Moments of residence time distributions allow one to build ideal reactor networks to simulate the regenerator in conjunction with coke burn kinetics. Such a model shows the differences in coke combustion patterns inside the regenerator, demonstrates the effect of hardware upgrades on the regenerator performance, and ultimately serves as a design tool to assist process and equipment improvement efforts at Honeywell UOP.

Application of Numerical Modeling on Assessing Product Value Proposition and Enhancing Fundamental Understanding in Corning Incorporated

Yuehao Li, Corning

Numerical modeling is now playing an important role in Corning. It has been used extensively to design new product, develop new process platforms, characterize the value propositions of new product, and enhance the fundamental understanding of the material and process. In this talk, we will give two examples about how we applied numerical modeling for Corning businesses.

In the first example, numerical modeling is used to characterize the value proposition of Gorilla hybrid laminate on improving the defrosting efficiency of vehicle windshield. The modeling results indicate that the Gorilla hybrid laminate shows 15% improvement over conventional counterparts in the standard test using a 0.5 mm frost layer. And the improvement is more pronounced in the tests with thin frost layers.

In the second example, numerical modeling is applied to enhance the fundamental understanding of the KGF transport inside cell clusters. The modeling results support the hypothesis that the KGF transport process is governed by the passive diffusion due to concentration gradient, and there is no noticeable active transport by the cells.