By uae of ab initio and analytic energy gradient method, twelve optimized electronic states of AICB,AIBC, BAIC in six geometric configurations are determined at all electron UHF(RHF) /6-31G level, their singles and do...By uae of ab initio and analytic energy gradient method, twelve optimized electronic states of AICB,AIBC, BAIC in six geometric configurations are determined at all electron UHF(RHF) /6-31G level, their singles and doubles CI (CISD) energies are also obtained. The Stabillties for the atates of AICB have been investigated based on the vibrational analysis. binding energy and fragmentation energy. The ground state is 3∑+ of AICB (C∞. TAIC= 1.7497.,TBC=1.3511 A = 206.7, 799.5, 1802.9 cm-1, T=0), the second state is 1A' of AICB (Cs,TAIC=1.9162, TBC = 1.3154 A, ∠AICB=179。8307, =238.5, 575. 1,1767. 5.cm-1, T =2432.84 cm-1). The fragmentations of vallous States (fragmentation products are AIB,AIC, BC diatomic clusters. and Al, B, C free atoms) of AIBC, AICB. BAIC are discussed in detail.展开更多
This research work numerically analyzes 2D,steady state,mixed convective heat transfer for Newtonian fluids in lid driven square enclosure with centered triangular block（blockage—10%or 30%）maintained either at the ...This research work numerically analyzes 2D,steady state,mixed convective heat transfer for Newtonian fluids in lid driven square enclosure with centered triangular block（blockage—10%or 30%）maintained either at the constant wall temperature or constant heat flux thermal conditions.The fluid flow in the enclosure is initiated by top moving wall in＋x-direction,while all other walls are stationary.The top and bottom walls are thermally insulated.In particular,the governing field equations are solved for range of governing parameters such as,Reynolds number（1–1000）,Prandtl number（1–100）,and Grashof number展开更多
In an acidic solution the mixed polynuclear complexes could be formed by association of rareearth-arsenazo Ⅲ complexing anions with copper o-phenanthrolinate cations.In this paper the formationconditions of lanthanum...In an acidic solution the mixed polynuclear complexes could be formed by association of rareearth-arsenazo Ⅲ complexing anions with copper o-phenanthrolinate cations.In this paper the formationconditions of lanthanum-arsenazo Ⅲ-copper-o-phenanthroline complex and its related reaction mechanismhave been studied in detail.The complex exhibits an absorption maximum at 663 nm and its apparent molarabsorptivity is found to be 1.22×105L·mol-1·cm-1.The molar ratio of the components in the complex isestimated to be La:arsenazo Ⅲ:Cu:Phen=1:1:1:3.Its possible molecular formula can expressed as[Cu（Phen）3]（La-arsenazo Ⅲ）.The reaction is used to determine micro amounts of lanthanum（or rareearths）in copper containning synthetic samples and satisfactory results are obtained.展开更多
Here some steady-state experiments on oxidation of CO on Pd were performed on a molecular beam apparatus. It is found that the characteristics of the rate of CO_2 formation r versus substrate temperature T are depende...Here some steady-state experiments on oxidation of CO on Pd were performed on a molecular beam apparatus. It is found that the characteristics of the rate of CO_2 formation r versus substrate temperature T are dependent on the ratio P=P_(CO)/P_(O2) in the mixed beam. These characteristics are related to the complicated interactions of co-adsorbed CO and O particles on Pd surface.展开更多
This mixed methods study investigates learning outcomes resulting from college attendance in the Chinese mainland.Data for this study is derived from undergraduate survey responses at 21 universities and interviews wi...This mixed methods study investigates learning outcomes resulting from college attendance in the Chinese mainland.Data for this study is derived from undergraduate survey responses at 21 universities and interviews with 64 seniors at five universities.Factor analysis reduced learning outcome items to two factors,and 19 categories of learning outcomes were distilled from interview data.These categories were then reduced to four domains:knowledge,skills,intrapersonal awareness,and interpersonal competence.Compared with literature generated in the West,intercultural competency as well as quantitative and computer literacy are missing in the Chinese higher education context.Student learning is an integrated whole and takes place in diverse settings in and outside the classroom.展开更多
Through complexation reaction of arynyl Fe-S complexes A(μ-p-CH_3C_6H_4C≡CS)(μ- RS)Fe_2(CO)_6 with Co_2(CO)_6, eight mixed cluster complexes B[μ-p-CH_3C_6H_4C_2Co_2(CO)_6S](μ- RS)Fe_2(CO)_6 have been synthesized....Through complexation reaction of arynyl Fe-S complexes A(μ-p-CH_3C_6H_4C≡CS)(μ- RS)Fe_2(CO)_6 with Co_2(CO)_6, eight mixed cluster complexes B[μ-p-CH_3C_6H_4C_2Co_2(CO)_6S](μ- RS)Fe_2(CO)_6 have been synthesized. Reactivity of the complexation reaction is approximately equi- valent to that of the reaction of diarylacetylene with Co_2(CO)_8. Conformational analysis has shown that R groups in complexes A are linked to sulfur atoms by a-and e-bond, whereas that in B only by art e-type of bond.展开更多
A mathematical model for describing gas solid two phase steady mixed convection with phase change has been developed and numerical calculation methods presented.A melting liquid droplet failing a counter gas currenl e...A mathematical model for describing gas solid two phase steady mixed convection with phase change has been developed and numerical calculation methods presented.A melting liquid droplet failing a counter gas currenl expe- riences three processes,cooling of liquid droplet,solidification and cooling of the solid particle.The turbulent model used for Rayleigh number greater than 10~6 is a two equation(k—ε)model of turbulence.For phase change,an improved enthalpy method with varied time step is proposed.The gas particle two phase flow is described by using Eulerian-Lagrangian approach.Modified SIMPLE algorithm and Runge-Kutta method are used in interative calcu- lation.As an example of calculation,the flow in a special 2-dimensional axi-symmetrical prilling tower of diameter 20 m and height 50 m has been performed.Buoyancy effect is important for moving droplet with phase change. The model to be developed and analysis of results obtained in this paper are useful for engineering design in indus- try.展开更多
A mixed ligand neodymium complex containing 1-phenyl-3-methyl-4-trifluoroacetyl- pyrazol-5-one(HPMTFP)and 1-phenyl-3-methyl-pyrazol-5-one(PMP),with molecular formula Nd(PMTFP)_3·PMP·H_2O was synthesized.Its ...A mixed ligand neodymium complex containing 1-phenyl-3-methyl-4-trifluoroacetyl- pyrazol-5-one(HPMTFP)and 1-phenyl-3-methyl-pyrazol-5-one(PMP),with molecular formula Nd(PMTFP)_3·PMP·H_2O was synthesized.Its crystal and molecular structure has been determined by single crystal X-ray diffraction method.The complex crystallizes in monoclinic system with space group C_2~5h-P2_(1/n).There are four formula units in a cell of dimensions a=12.837(3),b=23.763(5),c=16.810(4) ,β=109.58(2)°.The structure has been refined by full-matrix least-squares techniques to a final R value of 0.0487 and Rw value of 0.432.The neodymium atom is coordinated to eight oxygen atoms with the average Nd-O bond length 2.439,Its thermostability,and mass spectrum have been discussed.展开更多
文摘By uae of ab initio and analytic energy gradient method, twelve optimized electronic states of AICB,AIBC, BAIC in six geometric configurations are determined at all electron UHF(RHF) /6-31G level, their singles and doubles CI (CISD) energies are also obtained. The Stabillties for the atates of AICB have been investigated based on the vibrational analysis. binding energy and fragmentation energy. The ground state is 3∑+ of AICB (C∞. TAIC= 1.7497.,TBC=1.3511 A = 206.7, 799.5, 1802.9 cm-1, T=0), the second state is 1A' of AICB (Cs,TAIC=1.9162, TBC = 1.3154 A, ∠AICB=179。8307, =238.5, 575. 1,1767. 5.cm-1, T =2432.84 cm-1). The fragmentations of vallous States (fragmentation products are AIB,AIC, BC diatomic clusters. and Al, B, C free atoms) of AIBC, AICB. BAIC are discussed in detail.
文摘This research work numerically analyzes 2D,steady state,mixed convective heat transfer for Newtonian fluids in lid driven square enclosure with centered triangular block（blockage—10%or 30%）maintained either at the constant wall temperature or constant heat flux thermal conditions.The fluid flow in the enclosure is initiated by top moving wall in＋x-direction,while all other walls are stationary.The top and bottom walls are thermally insulated.In particular,the governing field equations are solved for range of governing parameters such as,Reynolds number（1–1000）,Prandtl number（1–100）,and Grashof number
文摘In an acidic solution the mixed polynuclear complexes could be formed by association of rareearth-arsenazo Ⅲ complexing anions with copper o-phenanthrolinate cations.In this paper the formationconditions of lanthanum-arsenazo Ⅲ-copper-o-phenanthroline complex and its related reaction mechanismhave been studied in detail.The complex exhibits an absorption maximum at 663 nm and its apparent molarabsorptivity is found to be 1.22×105L·mol-1·cm-1.The molar ratio of the components in the complex isestimated to be La:arsenazo Ⅲ:Cu:Phen=1:1:1:3.Its possible molecular formula can expressed as[Cu（Phen）3]（La-arsenazo Ⅲ）.The reaction is used to determine micro amounts of lanthanum（or rareearths）in copper containning synthetic samples and satisfactory results are obtained.
基金Project supported by National Natural Science Foundation of China
文摘Here some steady-state experiments on oxidation of CO on Pd were performed on a molecular beam apparatus. It is found that the characteristics of the rate of CO_2 formation r versus substrate temperature T are dependent on the ratio P=P_(CO)/P_(O2) in the mixed beam. These characteristics are related to the complicated interactions of co-adsorbed CO and O particles on Pd surface.
基金This study was supported in part by a Humanities and Social Sciences Grant(13YJC880002)from the Ministry of Education of China.
文摘This mixed methods study investigates learning outcomes resulting from college attendance in the Chinese mainland.Data for this study is derived from undergraduate survey responses at 21 universities and interviews with 64 seniors at five universities.Factor analysis reduced learning outcome items to two factors,and 19 categories of learning outcomes were distilled from interview data.These categories were then reduced to four domains:knowledge,skills,intrapersonal awareness,and interpersonal competence.Compared with literature generated in the West,intercultural competency as well as quantitative and computer literacy are missing in the Chinese higher education context.Student learning is an integrated whole and takes place in diverse settings in and outside the classroom.
文摘Through complexation reaction of arynyl Fe-S complexes A(μ-p-CH_3C_6H_4C≡CS)(μ- RS)Fe_2(CO)_6 with Co_2(CO)_6, eight mixed cluster complexes B[μ-p-CH_3C_6H_4C_2Co_2(CO)_6S](μ- RS)Fe_2(CO)_6 have been synthesized. Reactivity of the complexation reaction is approximately equi- valent to that of the reaction of diarylacetylene with Co_2(CO)_8. Conformational analysis has shown that R groups in complexes A are linked to sulfur atoms by a-and e-bond, whereas that in B only by art e-type of bond.
文摘A mathematical model for describing gas solid two phase steady mixed convection with phase change has been developed and numerical calculation methods presented.A melting liquid droplet failing a counter gas currenl expe- riences three processes,cooling of liquid droplet,solidification and cooling of the solid particle.The turbulent model used for Rayleigh number greater than 10~6 is a two equation(k—ε)model of turbulence.For phase change,an improved enthalpy method with varied time step is proposed.The gas particle two phase flow is described by using Eulerian-Lagrangian approach.Modified SIMPLE algorithm and Runge-Kutta method are used in interative calcu- lation.As an example of calculation,the flow in a special 2-dimensional axi-symmetrical prilling tower of diameter 20 m and height 50 m has been performed.Buoyancy effect is important for moving droplet with phase change. The model to be developed and analysis of results obtained in this paper are useful for engineering design in indus- try.
基金This project was supported by The National Natural Science Foundation of China.
文摘A mixed ligand neodymium complex containing 1-phenyl-3-methyl-4-trifluoroacetyl- pyrazol-5-one(HPMTFP)and 1-phenyl-3-methyl-pyrazol-5-one(PMP),with molecular formula Nd(PMTFP)_3·PMP·H_2O was synthesized.Its crystal and molecular structure has been determined by single crystal X-ray diffraction method.The complex crystallizes in monoclinic system with space group C_2~5h-P2_(1/n).There are four formula units in a cell of dimensions a=12.837(3),b=23.763(5),c=16.810(4) ,β=109.58(2)°.The structure has been refined by full-matrix least-squares techniques to a final R value of 0.0487 and Rw value of 0.432.The neodymium atom is coordinated to eight oxygen atoms with the average Nd-O bond length 2.439,Its thermostability,and mass spectrum have been discussed.
