The density functional theory （DFT） and density functional perturbation theory （DFPT） within the quasi-harmonic ap-proximation were employed to investigate the activity coefficient of Y in dilute Fe-Y solid soluti...The density functional theory （DFT） and density functional perturbation theory （DFPT） within the quasi-harmonic ap-proximation were employed to investigate the activity coefficient of Y in dilute Fe-Y solid solution. The ground states of Fe-Y com-pounds and the thermodynamic properties of bcc Fe were calculated, and the stable and metastable structures of Fe-Y compounds were predicted as well. With the temperature increasing, the Y activity coefficient in bcc Fe matrix increased rapidly, and the interac-tion between Y and Fe became more favorable. Based on the calculated thermodynamic properties, the solubility of Y in bcc Fe ma-trix as a function of temperature was predicted, and compared with the experimental data.展开更多
A novel Fe-Y composite oxide(Fe:Y-6.5) nanocluster was synthesized by self-assembly approach.The α-Fe_(2)O_(3) and cubic-Y_(2)O_(3) nanocrystalline with diameter around 10 nm are homogeneously assembled to form a clu...A novel Fe-Y composite oxide(Fe:Y-6.5) nanocluster was synthesized by self-assembly approach.The α-Fe_(2)O_(3) and cubic-Y_(2)O_(3) nanocrystalline with diameter around 10 nm are homogeneously assembled to form a cluster architecture which are constituted of Fe6.5Y composite oxide particles.Additional oxygen vacancies are introduced with cubic-Y_(2)O_(3),and the oxygen vacancies as Fe^(3+)-V_(0)-Y^(3+) between α-Fe_(2)O_(3) and cubic-Y_(2)O_(3) nanocrystalline are generated by self-assembly process.Magnetic hysteresis loops recorded by vibrating sample magnetometry at 273 K display a ferromagnetic order,related to the fact that Fe^(3+)-V_(o)-Y^(3+) act as defect centers in the bound magnetic polaron model for Fe-Y composite oxide nanomaterial.The ferromagnetic prope rties are proportional to oxygen vacancy co ntents,and maximum magnetization(M_(m)) value of the nano-cluster reaches 5.14 A·m^(2)/g.展开更多
By means of the software Thermo Calc, the Fe Y system is assessed. It gives the thermodynamic parameters of individual phases, including the solutions bcc, fcc, hcp, liquid and the intermetallic compounds Fe 17 ...By means of the software Thermo Calc, the Fe Y system is assessed. It gives the thermodynamic parameters of individual phases, including the solutions bcc, fcc, hcp, liquid and the intermetallic compounds Fe 17 Y 2, Fe 23 Y 6, Fe 3Y and Fe 2Y, which are treated as stoichiometric compounds.展开更多
A series of Fe-Y zeolite catalysts with different Fe loading were prepared by ferrocene sublimation under solvent and wa- ter-free conditions. The dispersion, structure and morphology of the iron species on the Fe-Y c...A series of Fe-Y zeolite catalysts with different Fe loading were prepared by ferrocene sublimation under solvent and wa- ter-free conditions. The dispersion, structure and morphology of the iron species on the Fe-Y catalysts were characterized by XRD, TEM and UV-Vis. The catalytic activities of Fe-Y samples were measured in selective catalytic redaction of NO with ammonia （NH3-SCR）. The results showed that the iron species on the HY zeolite support were mainly made up of isolated Fe3＋ ions, FexOy oligomers and a little amount of 〈 3 nm spherical Fe203 particles. Isolated Fe3＋ ions are predominating among all the Fe-Y catalysts. The sum of isolated Fe3＋ ions and FexOy oligomers took up more than 90% percent of total iron species on the Fe-Y till 10.0 wt% loading of Fe.展开更多
制备了负载在Na Y分子筛上的Fe Cu Mn Y复合催化剂,并对其在非均相UV Fe Cu Mn Y H2O2体系中催化氧化4BS染料废水进行了研究.结果表明,非均相UV Fe Cu Mn Y H2O2体系对4BS染料废水的处理具有很高的效率.在基准条件下,反应时间为20min时...制备了负载在Na Y分子筛上的Fe Cu Mn Y复合催化剂,并对其在非均相UV Fe Cu Mn Y H2O2体系中催化氧化4BS染料废水进行了研究.结果表明,非均相UV Fe Cu Mn Y H2O2体系对4BS染料废水的处理具有很高的效率.在基准条件下,反应时间为20min时,废水中4BS的去除率达到了93 7%.与均相UV Fenton体系不同,非均相UV Fe Cu Mn Y H2O2体系在碱性条件下(pH=10 5)仍可高效去除CODCr.动力学研究得到催化氧化4BS废水的模型方程,该模型可以为非均相UV Fe Cu Mn Y H2O2体系处理高色度的实际染料废水提供指导.展开更多
基金supported by the National Natural Science Foundation of China(51101083)
文摘The density functional theory （DFT） and density functional perturbation theory （DFPT） within the quasi-harmonic ap-proximation were employed to investigate the activity coefficient of Y in dilute Fe-Y solid solution. The ground states of Fe-Y com-pounds and the thermodynamic properties of bcc Fe were calculated, and the stable and metastable structures of Fe-Y compounds were predicted as well. With the temperature increasing, the Y activity coefficient in bcc Fe matrix increased rapidly, and the interac-tion between Y and Fe became more favorable. Based on the calculated thermodynamic properties, the solubility of Y in bcc Fe ma-trix as a function of temperature was predicted, and compared with the experimental data.
基金Project supported by National Key R&D Program of China(2017YFB0305801)the Joint Funds of NSFC-Liaoning(U1508213)。
文摘A novel Fe-Y composite oxide(Fe:Y-6.5) nanocluster was synthesized by self-assembly approach.The α-Fe_(2)O_(3) and cubic-Y_(2)O_(3) nanocrystalline with diameter around 10 nm are homogeneously assembled to form a cluster architecture which are constituted of Fe6.5Y composite oxide particles.Additional oxygen vacancies are introduced with cubic-Y_(2)O_(3),and the oxygen vacancies as Fe^(3+)-V_(0)-Y^(3+) between α-Fe_(2)O_(3) and cubic-Y_(2)O_(3) nanocrystalline are generated by self-assembly process.Magnetic hysteresis loops recorded by vibrating sample magnetometry at 273 K display a ferromagnetic order,related to the fact that Fe^(3+)-V_(o)-Y^(3+) act as defect centers in the bound magnetic polaron model for Fe-Y composite oxide nanomaterial.The ferromagnetic prope rties are proportional to oxygen vacancy co ntents,and maximum magnetization(M_(m)) value of the nano-cluster reaches 5.14 A·m^(2)/g.
文摘By means of the software Thermo Calc, the Fe Y system is assessed. It gives the thermodynamic parameters of individual phases, including the solutions bcc, fcc, hcp, liquid and the intermetallic compounds Fe 17 Y 2, Fe 23 Y 6, Fe 3Y and Fe 2Y, which are treated as stoichiometric compounds.
基金support of the National Natural Science Foundation of China(20903080)
文摘A series of Fe-Y zeolite catalysts with different Fe loading were prepared by ferrocene sublimation under solvent and wa- ter-free conditions. The dispersion, structure and morphology of the iron species on the Fe-Y catalysts were characterized by XRD, TEM and UV-Vis. The catalytic activities of Fe-Y samples were measured in selective catalytic redaction of NO with ammonia （NH3-SCR）. The results showed that the iron species on the HY zeolite support were mainly made up of isolated Fe3＋ ions, FexOy oligomers and a little amount of 〈 3 nm spherical Fe203 particles. Isolated Fe3＋ ions are predominating among all the Fe-Y catalysts. The sum of isolated Fe3＋ ions and FexOy oligomers took up more than 90% percent of total iron species on the Fe-Y till 10.0 wt% loading of Fe.
文摘制备了负载在Na Y分子筛上的Fe Cu Mn Y复合催化剂,并对其在非均相UV Fe Cu Mn Y H2O2体系中催化氧化4BS染料废水进行了研究.结果表明,非均相UV Fe Cu Mn Y H2O2体系对4BS染料废水的处理具有很高的效率.在基准条件下,反应时间为20min时,废水中4BS的去除率达到了93 7%.与均相UV Fenton体系不同,非均相UV Fe Cu Mn Y H2O2体系在碱性条件下(pH=10 5)仍可高效去除CODCr.动力学研究得到催化氧化4BS废水的模型方程,该模型可以为非均相UV Fe Cu Mn Y H2O2体系处理高色度的实际染料废水提供指导.
