BROWSE

Related Researcher

Author's Photo

Kwak, Sang Kyu
Kyu’s MolSim Lab @ UNIST
Research Interests
  • Molecular modeling and simulation, statistical thermodynamics, molecular physics

ITEM VIEW & DOWNLOAD

Mechanism of thermal decomposition of HFO-1234ze(E) under supercritical fluid conditions

Cited 0 times inthomson ciCited 0 times inthomson ci
Title
Mechanism of thermal decomposition of HFO-1234ze(E) under supercritical fluid conditions
Author
Gunawan, RickyIrriyanto, Miqdar ZulfikarCahyadi, Handi SetiadiIrshad, MuhammadLim, Hyung-SooChoi, Bum-SeongKwak, Sang-KyuMyint, Aye AyeKim, Jae-Hoon
Issue Date
2020-06
Publisher
ELSEVIER
Citation
JOURNAL OF SUPERCRITICAL FLUIDS, v.160, pp.104792
Abstract
The supercritical organic Rankine cycle (SORC) system is a promising solution for the recovery of low-grade heat resources and for the utilization of geothermal energy. The thermal stability of the organic working fluid is one of most important criteria for establishing the SORC. Therefore, it is very important to understand the mechanism of thermal decomposition of the organic working fluid. In this study, decomposition experiments and theoretical calculations using the density functional theory (DFT) method were performed to evaluate the thermal stability and elucidate the mechanism of decomposition of a new-generation working fluid, (1E)-1,3,3,3-tetrafluoropropene (HFO-1234ze(E), CFH=CHCF3). The main decomposition products included pentafluoroethane (CF2HCF3), 1,1,1-trifluoroethane (CH3CF3), and 2,3,3,3-tetrafluoropropene (CH2=CFCF3). HF, the key molecule, is produced and consumed multiple times throughout the course of the decomposition reaction. HFO-1234ze(E) decomposed to C1-C2 hydrofluorocarbons (HFCs) and hydrofluoroolefins (HFOs) under moderate operating conditions. On the other hand, under harsher operating conditions, the formation of long-chain HFCs and HFOs with C3-C5 was experimentally observed, where these species can be produced from the reactions between the decomposition intermediates. (C) 2020 Published by Elsevier B.V.
URI
https://scholarworks.unist.ac.kr/handle/201301/32321
URL
https://www.sciencedirect.com/science/article/pii/S0896844620300437?via%3Dihub
DOI
10.1016/j.supflu.2020.104792
ISSN
0896-8446
Appears in Collections:
ECHE_Journal Papers
Files in This Item:
There are no files associated with this item.

find_unist can give you direct access to the published full text of this article. (UNISTARs only)

Show full item record

qrcode

  • mendeley

    citeulike

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

MENU