Computational Fluid Dynamics Simulations

Computational Fluid Dynamics Simulations.

Description

Unit design for engineering purposes has been traditionally performed using empirical correlations derived from adjusting experimental data to a model or directly by testing experimental setups. CFD (Computational Fluid Dynamics) tools allow the user to design and test different setups virtually. These tools have been mostly developed for aerodynamical calculations used in aeronautical engineering. In recent years is gaining popularity for all kind of engineering purposes, and specially in chemical engineering, where flow circulation plays a vital role in most units. Research is being carried out to study the most relevant applications of CFD in chemical engineering.

Heat transfer units are simulated with CFD and the results are compared against experimental and empirical correlations. Heat exchangers geometry is optimized to ensure maximum heat exchange with minimal pressure loss, granting higher efficiency with small unit implementations.

In the combustion of fuel, NO_x emissions are of special concern. The performed CFD studies on NO_x production on the combustion of methane and ethane with a complex reaction mechanism (Chybowski et al., 2015) have revealed that the addition of water steam significantly reduces the NO_x concentration by decreasing the temperature in the chamber and influencing the reaction mechanism.

Adsorption of CO₂ and other pollutants is also an important topic due to the burning of fossil fuels. CFD studies allow the scalability from atomic calculations of absorption with zeolites to units prepared for industrial use, being a bridge between nanoscale and macroscale calculations. Additionally, CO₂ can be transformed into more useful molecules like methane or formic acid. Methanation units are being researched to maintain the conversion of the reactor and reduce the heat spikes present during the reaction process, with can damage the unit and produce security hazards.

When gases pollutant gases cannot be captured it is usually emitted through chimneys at various conditions and rates. With such dispersion problems can be solved and solutions to protect human and wildlife health can be proposed. One of these solutions is the use of physical barriers to deflect emissions near populations and reduce the concentration of pollutant in habited areas.

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Collaborations

Fundings

Generalitat de Catalunya (Project: 2014SGR1582)