Scientists use computer modeling to develop new materials for carbon capture and treatment

2022-05-02 0 By

The Samara University of Technology in Russia and scientists from China used computer simulations to create a platform capable of calculating material properties to develop technologies to capture carbon dioxide from the air and convert it into carbon monoxide to produce engine fuel, lubricants and alcohol.The developed material is based on light-sensitive molecules called porphyrins that speed up carbon dioxide conversion reactions, while transition metal atoms are added to increase the stability of the material.The developed material is porous, acid and heat resistant, and can withstand repeated dissolution and recrystallization.The findings are in the journal Applied Chemistry.Porous hydrogen-bonded organic framework materials have very high porosity and absorbability, and their properties change with different organic components.They can also dissolve and crystallize repeatedly to remove excess compounds.Using porphyrins as “building blocks” of hydrogen-bonded organic framework materials, the scientists used topological methods to predict the self-assembly process of novel porous hydrogen-bonded organic framework materials based on tetracarboxylic acid porphyrins.A series of porphyrin hydrogen-bonded metal-organic framework materials with high specific surface area and excellent stability were modeled and synthesized.The material can effectively accelerate the conversion process of carbon dioxide to carbon monoxide at room temperature.Note: this article is excerpted from the relevant foreign research reports, the content of the article does not represent the views and positions of this website, only for reference.Disclaimer: The copyright of this article belongs to the original author, if there is a source error or infringement of your legitimate rights and interests, you can contact us through email or wechat, we will deal with it in time.Email address:;Wechat id: Jiupai6688 (Note to add and withdraw)