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Title: 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.

Authors:
 [1];  [2];  [3];  [3];  [4];  [5];  [6];  [7];  [7];  [3];  [8]
  1. Univ. of California, Berkeley, CA (United States). Dept. of Chemical and Biomolecular Engineering
  2. Korea Advanced Inst. Science and Technology (KAIST), Daejeon (Korea, Republic of). Dept. of Chemical and Biomolecular Engineering
  3. Northwestern Univ., Evanston, IL (United States). Dept. of Chemical and Biological Engineering
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Division; IBM Almaden Research Centre, San Jose, CA (United States)
  5. Univ. of California, Berkeley, CA (United States). Dept. of Chemistry
  6. Rice Univ., Houston, TX (United States). Dept. of Bioengineering; Rice Univ., Houston, TX (United States). Dept. of Physics and Astronomy
  7. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Division
  8. Univ. of California, Berkeley, CA (United States). Dept. of Chemical and Biomolecular Engineering; Univ. of California, Berkeley, CA (United States). Dept. of Chemistry; Ecole Polytechnique Federale Lausanne (Switzlerland). Lab. of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques (ISIC)
Publication Date:
Research Org.:
Univ. of Minnesota, Minneapolis, MN (United States). Nanoporous Materials Genome Center (NMGC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division
OSTI Identifier:
1476386
Grant/Contract Number:  
FG02-12ER16362; SC0008688
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Frontiers for Young Minds
Additional Journal Information:
Journal Volume: 3; Journal ID: ISSN 2296-6846
Country of Publication:
United States
Language:
English
Subject:
03 NATURAL GAS

Citation Formats

Simon, Cory M., Kim, Jihan, Gomez-Gualdron, Diego A., Chung, Yongchul G., Martin, Richard L., Mercado, Rocio, Deem, Michael W., Gunter, Dan, Haranczyk, Maciej, Snurr, Randall Q., and Smit, Berend. Computer-Aided Search for Materials to Store Natural Gas for Vehicles. United States: N. p., 2015. Web. doi:10.3389/frym.2015.00011.
Simon, Cory M., Kim, Jihan, Gomez-Gualdron, Diego A., Chung, Yongchul G., Martin, Richard L., Mercado, Rocio, Deem, Michael W., Gunter, Dan, Haranczyk, Maciej, Snurr, Randall Q., & Smit, Berend. Computer-Aided Search for Materials to Store Natural Gas for Vehicles. United States. doi:10.3389/frym.2015.00011.
Simon, Cory M., Kim, Jihan, Gomez-Gualdron, Diego A., Chung, Yongchul G., Martin, Richard L., Mercado, Rocio, Deem, Michael W., Gunter, Dan, Haranczyk, Maciej, Snurr, Randall Q., and Smit, Berend. Mon . "Computer-Aided Search for Materials to Store Natural Gas for Vehicles". United States. doi:10.3389/frym.2015.00011. https://www.osti.gov/servlets/purl/1476386.
@article{osti_1476386,
title = {Computer-Aided Search for Materials to Store Natural Gas for Vehicles},
author = {Simon, Cory M. and Kim, Jihan and Gomez-Gualdron, Diego A. and Chung, Yongchul G. and Martin, Richard L. and Mercado, Rocio and Deem, Michael W. and Gunter, Dan and Haranczyk, Maciej and Snurr, Randall Q. and Smit, Berend},
abstractNote = {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.},
doi = {10.3389/frym.2015.00011},
journal = {Frontiers for Young Minds},
number = ,
volume = 3,
place = {United States},
year = {Mon Aug 31 00:00:00 EDT 2015},
month = {Mon Aug 31 00:00:00 EDT 2015}
}

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Works referenced in this record:

A Chemically Functionalizable Nanoporous Material [Cu3(TMA)2(H2O)3]n
journal, February 1999


Systematic Design of Pore Size and Functionality in Isoreticular MOFs and Their Application in Methane Storage
journal, January 2002

  • Eddaoudi, Mohamed; Kim, Jaheon; Rosi, Nathaniel
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  • DOI: 10.1126/science.1067208