Computer-aided search for materials to store natural gas for vehicles

C. M. Simon, J. Kim, D. A. Gomez-Gualdron, Y. G. Chung, R. L. Martin, R. Mercado, M. W. Deem, D. Gunter, M. Haranczyk, R. Q. Snurr, and B. Smit, Computer-aided search for materials to store natural gas for vehicles Front. Young Minds 3 (11), 1 (2015) http://dx.doi.org/10.3389/frym.2015.00011

ffym-illustration_Computer-aided-search-for-materials-to-store-natural-gas-for-vehicles


Abstract: Most cars use gasoline as a fuel. But cars can run on other fuels, such as natural gas (NG), the same gas that is used for cooking and for heating our homes. NG is cheaper and possibly better for the environment than gasoline. However, gasoline is much more dense than NG since gasoline is a liquid and NG is a gas. So, to run a car on NG, we need to increase its density so that we can fit enough NG in the fuel tank to drive a similar distance as with a tank of gasoline. Researchers around the world are working on synthesizing materials that act as sponges that adsorb NG. By putting these sponge-like materials inside of the fuel tank, we can increase the density of NG to efficiently store it onboard the vehicle. In our study, we show that how computers can be used to search for the most promising sponge-like materials to store NG.

© Berend Smit 2019