Molecular and process simulation of CO2 adsorption on Hydrotalcites as solid adsorbents

Phebe Linette Bonilla Prado

The problem

The high concentration of greenhouse gases (GHG) in the atmosphere leads to severe Climate Change and interlinked consequences. For example, rising sea level, increasing global temperature, reductions in dry-season rainfall, droughts and severe dust storms.

GHG are mainly generated due to the demand for services and goods as living standards and global population augment. As a result, we must find ways that allow us to reduce emissions and, at the same time, keep up with the demand for products and services.

The project

Carbon Capture, Utilisation and Storage (CCUS) technologies are potential solutions for reducing CO2 emissions. This project will focus on the post-combustion capture of CO2 of industrial flue gases using hydrotalcite (HT) as adsorbent. HT is a solid material, in contrast with mono-ethanolamine (MEA), a solvent currently used.

It is expected that HT will be suitable for CO2 capture at high pressure and high temperature, an advantage over MEA.

Based on the operating conditions of the experiments carried out with partner universities, we developed molecular simulations of the interaction of hydrotalcites with CO2 to evaluate them as an alternative capture technology.

Expertise: molecular simulation, CCUS technologies


We spoke to Phebe about the publication of her paper on carbon capture and hydrotalcites. She explained why the paper was important and about the GHGT-15 conference that led to it. If you want to read more, then follow the link.

Phebe is a team member of the Grantham Centre’s Green Impact Project. The aim of this project is to create awareness in Sheffield about HOW to grow your own food. Another aspect is creating awareness about WHY locally grown food is essential for a low carbon footprint and its positive impact on the public health and environment. Find out more about SHEFF-Yield.


Bonilla Prado, Phebe Linette and Wang, Meihong, Molecular Simulation of Post-combustion Carbon Capture using Hydrotalcites (February 8, 2021). Proceedings of the 15th Greenhouse Gas Control Technologies Conference 15-18 March 2021, Available at SSRN:




Professor Meihong Wang

Department of Chemical and Biological Engineering