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

Grantham Scholar Phebe Linette Bonilla Prado researches the post-combustion capture of CO2 of industrial flue gases using hydrotalcite (HT) as adsorbent.

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


Research Retold placement

As part of her 4th year placement Phebe worked at Research Retold. There she collaborated on a visual summary for the research of Rebecca Windemer about the end-of-life of wind farms. Plus she helped create ‘breathable homes’ about indoor ventilation as a link between health and reducing CO2 emissions.

Film showcase

Along with other Grantham Scholars, Phebe featured in a series of films made by Curious Earth on Instagram. The films showcased 20 female scientists and asked them, ‘what advice would you give your younger self?’.

GHGT-15 conference

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.

Green Impact

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