Filtech 2024 in Cologne / Germany) (November 12 - 14, 2024)

Abstract

Adsorption-based processes play a crucial role in reducing environmental pollution and eliminating harmful substances. Common filter media materials, like activated carbon, zeolites, and metal-organic frameworks, are used to effectively purify fluids and gases for applications ranging from water treatment to air purification. A way to measure and classify the quality of adsorption filter media is to look at breakthrough curves. A breakthrough curve shows the concentration of the adsorbate in the filtrate behind the filter media, and breakthrough occurs in the moment when adsorbate reaches shows up in the filtrate.

In carbon capture, adsorption is vital to trap and store CO2 emissions from industrial activities and power generation, preventing their release into the atmosphere. The CO2 may be stored or used in processes like enhanced oil recovery or synthetic fuel production. However, determining breakthrough curves for a specific contaminant often requires time-consuming and costly experimental procedures.

In this context, the use of simulations allows to precisely control experimental parameters such as temperature, pressure, and surface properties to investigate their effects on adsorption behavior – gaining important insights into the microstructure to develop next-generation filter media.

In this study, we introduce the efficient simulation of adsorption on the filter media scale using GeoDict, a powerful tool for digital material development and prototyping. The approach is to calculate the molecular movement of particles and to solve for the adsorption equilibrium step by step using Langmuir and Toth adsorption isotherms. The simulation delivers breakthrough curves for arbitrary contaminants. The method is validated against experimental data from Coker and Knox, 2014 [1].

Future developments seek to include additional adsorption isotherms and improve simulation speed. Overall, these new simulation features provide new capabilities for product development in the field of adsorption-based filtration applications.

Left: Cross section through sorbent pellets packed into cylindrical container. Flow from bottom to top.
Center: Breakthrough Curve and adsorption regimes.
Right: Legend of adsorbed load in pellets. For comparison, the concentration in the feed is 30,000 times lower than the maximum concentration in the pellets.

 

[1] Coker, R., Knox, J., Gauto, H., & Gomez, C. (2014, July). Full System Modeling and Validation of the Carbon Dioxide Removal Assembly. In International Conference on Environmental Systems (ICES) 2014 (No. M14-3448).