Density functional theory study on kinetics of formic acid decomposition in supercritical water

被引：0
|
作者：
Zhang, Yong-Chun [1 ]
Zhang, Jun [1 ]
Zhao, Liang [1 ]
Liu, Yang-Xian [1 ]
Chen, Jie [1 ]
Xie, Fang [1 ]
Sheng, Chang-Dong [1 ]
机构：
[1] School of Energy and Environment, Southeast University, Nanjing 210096, China
来源：
Kung Cheng Je Wu Li Hsueh Pao/Journal of Engineering Thermophysics | 2010年 / 31卷 / 02期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
页码：343 / 346
相关论文
共 50 条
  • [31] A density functional theory study of the decomposition mechanism of nitroglycerin
    Liguan Pei
    Kehai Dong
    Yanhui Tang
    Bo Zhang
    Chang Yu
    Wenzuo Li
    Journal of Molecular Modeling, 2017, 23
  • [32] Double π- and σ-hydrogen bonding in formic acid complexes with pyrrole and imidazole:: an ab initio and density functional theory study
    Minyaev, RM
    Minkin, VI
    Gribanova, TN
    Starikov, AG
    MENDELEEV COMMUNICATIONS, 2003, (05) : 207 - 209
  • [33] Study of Conversion of Bio-oil Model Compounds in Supercritical Water Using Density Functional Theory
    Das, Yudhajit
    Liu, Hanli
    Tian, Fenghua
    Kota, Srinivas
    Zhang, Rong
    Chalak, Lina F.
    SCIENTIFIC REPORTS, 2020, 10 (01)
  • [34] Combining experiment and density functional theory to study the mechanism of thermochemical sulfate reduction by hydrogen in supercritical water
    Wang, Runyu
    Lu, Libo
    Chen, Jia
    Kou, Jiajing
    Jin, Hui
    Guo, Liejin
    JOURNAL OF MOLECULAR LIQUIDS, 2021, 330
  • [35] Study of Conversion of Bio-oil Model Compounds in Supercritical Water Using Density Functional Theory
    Kushagra Agrawal
    Nanda Kishore
    Scientific Reports, 10
  • [36] A density functional theory study on adsorption and decomposition of acetic acid over silicon carbide nanotubes
    Esrafili, Mehdi D.
    Nematollahi, Parisa
    Nurazar, Roghaye
    SYNTHETIC METALS, 2016, 215 : 164 - 169
  • [37] KINETICS AND MECHANISM OF FORMIC-ACID DECOMPOSITION ON RU(001)
    SUN, YK
    VAJO, JJ
    CHAN, CY
    WEINBERG, WH
    JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS, 1988, 6 (03): : 854 - 855
  • [38] A Vacuum Ultraviolet Photoionization Mass Spectrometry and Density Functional Calculation Study of Formic Acid-Water Clusters
    Daniely, Amit
    Wannenmacher, Anna
    Levy, Nevo
    Sheffer, Omri
    Joseph, Edwin
    Kostko, Oleg
    Ahmed, Musahid
    Stein, Tamar
    JOURNAL OF PHYSICAL CHEMISTRY A, 2024, 128 (31): : 6392 - 6401
  • [39] Methylamine decomposition on nickel surfaces: A density functional theory study
    Lv, Cun-Qin
    Li, Jun
    Ling, Kai-Cheng
    Shang, Zhen-Feng
    Wang, Gui-Chang
    SURFACE SCIENCE, 2010, 604 (9-10) : 779 - 787
  • [40] Decomposition of Ethanol on Pd(111): A Density Functional Theory Study
    Li, Ming
    Guo, Wenyue
    Jiang, Ruibin
    Zhao, Lianming
    Shan, Honghong
    LANGMUIR, 2010, 26 (03) : 1879 - 1888
12345