New insight into the reaction mechanism of carbon disulfide hydrolysis and the impact of H2S with density functional modeling
暂无分享,去创建一个
K. Gasem | M. Fan | P. Ning | W. Gong | Kai Li | Xin Sun | Xin Song | Chi Wang | Tongtong Wang | Lina Sun
[1] P. Ning,et al. Hydrogen transfer effect and reaction mechanism for catalytic hydrolysis of HCN in ionic liquids: A density functional theory study , 2018, Chemical Engineering Journal.
[2] P. Ning,et al. Regeneration performance and mechanism of modified walnut shell biochar catalyst for low temperature catalytic hydrolysis of organic sulfur , 2017 .
[3] P. Ning,et al. Surface characterization studies of walnut-shell biochar catalysts for simultaneously removing of organic sulfur from yellow phosphorus tail gas , 2017 .
[4] Guoping Wang,et al. Carbon disulfide (CS2) adsorption and dissociation on the Cu(100) surface: A quantum chemical study , 2017 .
[5] P. Ning,et al. Catalytic hydrolysis of COS over CeO 2 (110) surface: A density functional theory study , 2017 .
[6] P. Ning,et al. Low temperature catalytic hydrolysis of carbon disulfide over nano-active carbon based catalysts prepared by liquid phase deposition , 2017 .
[7] P. Ning,et al. Research on the low temperature catalytic hydrolysis of COS and CS2 over walnut shell biochar modified by Fe–Cu mixed metal oxides and basic functional groups , 2017 .
[8] P. Ning,et al. Low Temperature Catalytic Hydrolysis of Carbon Disulfide on Activated Carbon Fibers Modified by Non-thermal Plasma , 2017, Plasma Chemistry and Plasma Processing.
[9] T. Marks,et al. Hydrolytic cleavage of both CS2 carbon-sulfur bonds by multinuclear Pd(II) complexes at room temperature. , 2017, Nature chemistry.
[10] D. Kuznetsov,et al. Processes of carbon disulfide degradation under the action of a pulsed corona discharge , 2016 .
[11] P. Ning,et al. The hydrolysis mechanism and kinetic analysis for COS hydrolysis: A DFT study , 2016, Russian Journal of Physical Chemistry B.
[12] P. Ning,et al. Energy Utilization of Yellow Phosphorus Tail Gas: Simultaneous Catalytic Hydrolysis of Carbonyl Sulfide and Carbon Disulfide at Low Temperature , 2015 .
[13] P. Ning,et al. Adsorption of Carbon Disulfide on Cu/CoSPc/Ce Modified Activated Carbon under Microtherm and Micro-oxygen Conditions , 2014 .
[14] Honghong Yi,et al. Low-temperature hydrolysis of carbon disulfide using the FeCu/AC catalyst modified by non-thermal plasma , 2014 .
[15] Yi Ren,et al. Concerted or stepwise mechanism? New insight into the water-mediated neutral hydrolysis of carbonyl sulfide. , 2014, The journal of physical chemistry. A.
[16] Xing Fan,et al. Conversion of carbon disulfide in air by non-thermal plasma. , 2013, Journal of hazardous materials.
[17] Jinhui Peng,et al. Simultaneous catalytic hydrolysis of low concentration of carbonyl sulfide and carbon disulfide by impregnated microwave activated carbon at low temperatures , 2013 .
[18] Jinhui Peng,et al. Simultaneous Catalytic Hydrolysis of Carbonyl Sulfide and Carbon Disulfide over Modified Microwave Coal-Based Active Carbon Catalysts at Low Temperature , 2012 .
[19] Anne Steinemann,et al. Chemical emissions from residential dryer vents during use of fragranced laundry products , 2013, Air Quality, Atmosphere & Health.
[20] Riguang Zhang,et al. A theoretical study on the hydrolysis mechanism of carbon disulfide , 2012, Journal of Molecular Modeling.
[21] Riguang Zhang,et al. Density functional theory analysis of carbonyl sulfide hydrolysis: effect of solvation and nucleophile variation , 2012, Journal of Molecular Modeling.
[22] Wang Li,et al. Removal of carbon disulfide: Experimental and modeling results , 2010 .
[23] J. Clark,et al. Adsorption-catalytic process for carbon disulfide removal from air , 2005 .
[24] B. Delley. From molecules to solids with the DMol3 approach , 2000 .
[25] Colin Rhodes,et al. The low-temperature hydrolysis of carbonyl sulfide and carbon disulfide: a review , 2000 .
[26] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[27] B. Delley. An all‐electron numerical method for solving the local density functional for polyatomic molecules , 1990 .
[28] R. A. Kuharski,et al. A quantum mechanical study of structure in liquid H2O and D2O , 1985 .