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40. Polymer electrolyte membranes based on cross-linked highly sulfonated co-polyimides
A novel diamine monomer 3,3''''''''-Bis(2,3,5,6-tetrafluoro-4-vinylphenoxy) biphenyl-4,4''''''''-diamine (TFVBPA) bearing double hydrophobic cross-linkable tetrafluorostyrol side-groups has been successfully synthesized via a nucleophilic substitution reaction. A series of cross-linked highly sulfonated co-polyimide (CSPIy-TFVBPAx) membranes with ion-exchange capacity (IEC) values ranging from 2.2...
http://www.polymer.cnt//ss/guanshaowei/publicationsshow_10383.html |
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27. Synthesis and properties of soluble cross-linkable fluorinated co-polyimides
A series of high molecular weight soluble fluorinated cross-linkable co-polyimides (Co-PIs) were synthesized from 1,3-bis(2-trifluoromethyl-4-aminophenoxy)-5-(2,3,4,5-tetrafluorophenoxy)benzene (6FTFPB), 1,4-bis(4-amino-2-trifluoromethylphenoxy)benzene (6FAPB), 1,4-bis(4-amino-2-trifluoromethyl-phenoxy)-2-(3''''''''-trifluoro-methylphenyl)benzene (m-3F-6FAPB) and 4,4''''''''-(hexafluoroisopropylid...
http://www.polymer.cnt//ss/guanshaowei/publicationsshow_10372.html |
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On the gas-phase Co+-mediated oxidation of ethane by N2O: A mechanistic study.
The potential energy surface (PES) corresponding to the Co(+)-mediated oxidation of ethane by N(2)O has been investigated by using density functional theory (DFT). After initial N(2)O reduction by Co(+) to CoO(+), ethane oxidation by the nascent oxide involves C-H activation followed by two possible pathways, i.e., C-O coupling accounting for ethanol, Co(+)-mediated β-H shift giving the energet...
http://www.polymer.cnt//ss/luxiaoqing/publicationsshow_10221.html |
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The properties of the bonding between CO and ZIF?8 structures: a density functional theory study
The bonding properties of CO molecule with both defective and complete ZIF-8 structures are investigated by using density functional theory. Their interaction is explored by the geometry parameters, the natural bond orbital and atoms in molecules analyses, the vibrational frequency as well as the binding energy of CO molecule. The result shows that CO attaches directly to one of the 2-methylimid...
http://www.polymer.cnt//ss/luxiaoqing/publicationsshow_10212.html |
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Mechanistic insight into the gas-phase reactions of methylamine with ground state Co+(3F) and Ni+(2D).
The gas-phase reaction mechanisms of methylamine (MA) with the ground-state Co(+)((3)F) and Ni(+)((2)D) are theoretically investigated using density functional theory at both the B3LYP/6-311++G(d,p) and B3LYP/6-311++G(3df,2p) levels. The reactions for hydride abstraction and dehydrogenation are analyzed in terms of the topology of potential energy surfaces (PESs). Co(+) and Ni(+) perform similar...
http://www.polymer.cnt//ss/luxiaoqing/publicationsshow_10177.html |
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Initial reduction of CO2 on perfect and O-defective CeO2(111) surfaces: towards CO or COOH?
First-principle calculations were performed to explore the initial reduction of CO2 on perfect and O-defective CeO2 (111) surfaces via direct dissociation and hydrogenation, to elucidate the product selectivity towards CO, COOH, or HCOO. The results showed that CO2 prefers a bent configuration with the C atom of CO2 occupying the oxygen vacancy site. Reductive hydrogenation CO2 + H → COOH* was ...
http://www.polymer.cnt//ss/luxiaoqing/publicationsshow_10171.html |
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Supramolecular hydrogels co-loaded with camptothecin and doxorubicin for sustainedly synergistic tumor therapy
The co-delivery of multiple drugs has become the primary strategy in cancer therapy in recent years,
because this technique could promote synergistic actions, reduce side effects and deter the
development of drug resistance. To achieve a controlled and sustained release of the loaded drugs, a
supramolecular hydrogel based on the host–guest interactions between a hyperbranched polyglyce...
http://www.polymer.cnt//ss/madong/publicationsshow_9045.html |
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A theoretical study on CO sensing mechanism of In-doped SnO2 (1 1 0) surface
The CO adsorption on the In-doped SnO 2 (1021020) surface has been studied by the first-principles calculations based on density functional theory. The study reveals that CO can be chemically adsorbed on the bridge site of the In-doped SnO 2 (1021020) surface transforming into CO 2 . The favorable oxidization of CO on the surface occurs with a small reaction barrier of 1.0...
http://www.polymer.cnt//ss/grouplu/publicationsshow_8961.html |
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Oxychlorination of CO to phosgene in a three-step reaction cycle and corresponding catalytic mechanism
An improved procedure, three-step reaction cycle procedure, for the continuous preparation of phosgene from CO, air and HCl catalyzed by CuCl2 was reported for the first time. The corresponding catalytic mechanism of each step was preliminarily disclosed with the powder X-ray diffraction (XRD) analysis: the first step is the oxychlorination of CO to phosgene and simultaneous reducti...
http://www.polymer.cnt//ss/zhangtianzhu/publicationsshow_8676.html |
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Fabrication and properties of poly(tetrafluoroethylene-co-hexafluoropropylene) hollow fiber membranes
Poly(tetrafluoroethylene-co-hexafluoropropylene) (FEP) hollow fiber membranes have been fabricated
for the first time via the melt spinning method. Dioctyl phthalate (DOP) as the diluent and a composite
powder (composed of soluble and insoluble particles) as the pore-creating agent were used in this study.
The addition of the composite powder brought about a dissolved pore structure and interfacia...
http://www.polymer.cnt//ss/huangqinglin/publicationsshow_8549.html |
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