Highly correlated ab initio thermodynamics of oxymethylene dimethyl ethers (OME): formation and extension to the liquid phase-Reference-Cited by-同舟云学术

Highly correlated ab initio thermodynamics of oxymethylene dimethyl ethers (OME): formation and extension to the liquid phase

Published:2017 Issue:5 Volume:1 Page:1177-1183
ISSN:2398-4902
Container-title:Sustainable Energy & Fuels
language:en
Short-container-title:Sustainable Energy Fuels

Author:

Himmel Daniel¹²³⁴⁵,White Robin J.⁶⁷⁸⁹⁵,Jacob Eberhard¹⁰¹¹⁵,Krossing Ingo¹²³⁴⁵^ORCID

Affiliation:

1. Institut für Anorgsanische und Analytische Chemie

2. Freiburger Materialforschungszentrum (FMF)

3. Universität Freiburg

4. 79104 Freiburg

5. Germany

6. Sustainable Catalytic Materials Group

7. Division Hydrogen Technologies

8. Fraunhofer Institute for Solar Energy Systems

9. 79110 Freiburg

10. Motors Emissions Concepts UG

11. 82152 Krailling

Abstract

The principal thermodynamic functions of gaseous and liquid oxymethylene dimethyl ether (OME_n) oligomers were established based on a quantum chemical compound method delivering almost CCSD(T)/A′VQZ quality. From known and assessed phase change data, thermodynamic values for the liquid phase were established.

Publisher

Royal Society of Chemistry (RSC)

Subject

Energy Engineering and Power Technology,Fuel Technology,Renewable Energy, Sustainability and the Environment

Link

http://pubs.rsc.org/en/content/articlepdf/2017/SE/C7SE00053G

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