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Computer-Aided Search for Materials to Store Natural Gas for Vehicles

Journal Article · · Frontiers for Young Minds
 [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; Nanoporous Materials Genome Center
  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)
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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.
Research Organization:
Univ. of Minnesota, Minneapolis, MN (United States). Nanoporous Materials Genome Center (NMGC)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division
Grant/Contract Number:
SC0008688
OSTI ID:
1476386
Journal Information:
Frontiers for Young Minds, Journal Name: Frontiers for Young Minds Vol. 3; ISSN 2296-6846
Country of Publication:
United States
Language:
English

References (6)

High-Throughput Characterization of Porous Materials Using Graphics Processing Units journal April 2012
In silico Design of Porous Polymer Networks: High-Throughput Screening for Methane Storage Materials journal March 2014
Systematic Design of Pore Size and Functionality in Isoreticular MOFs and Their Application in Methane Storage journal January 2002
Methane storage in advanced porous materials journal January 2012
The materials genome in action: identifying the performance limits for methane storage journal January 2015
A Chemically Functionalizable Nanoporous Material [Cu3(TMA)2(H2O)3]n journal February 1999

Cited By (1)

High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites journal June 2018

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Related Subjects

03 NATURAL GAS