Login In
2003 Volume 19 Issue 4
2003, 19(04): 289-292
doi: 10.3866/PKU.WHXB20030401
Abstract:
A new set of parameters consistent with AMBER force field for generalized Born model was proposed. The new set of parameters includes the initial radius and screen parameters for 21 atom types. The parameters were developed by fitting the experimenta...
A new set of parameters consistent with AMBER force field for generalized Born model was proposed. The new set of parameters includes the initial radius and screen parameters for 21 atom types. The parameters were developed by fitting the experimenta...
2003, 19(04): 293-296
doi: 10.3866/PKU.WHXB20030402
Abstract:
Potential energy curves for the excited states of some halogen diatomic molecules have been studied using the energy-consistent method (ECM) .The results of these states,β1g(3P2) and A′(2μ3Π) of Br2,1μ(1D) of I2 and A′(2μ3Π) of Cl2,show that the ECM ...
Potential energy curves for the excited states of some halogen diatomic molecules have been studied using the energy-consistent method (ECM) .The results of these states,β1g(3P2) and A′(2μ3Π) of Br2,1μ(1D) of I2 and A′(2μ3Π) of Cl2,show that the ECM ...
2003, 19(04): 297-301
doi: 10.3866/PKU.WHXB20030403
Abstract:
The dilational viscoelasticity properties of decane-water interface containing two demulsifiers with straight chain SP169 (octadecanol polyoxypropylene-polyoxyethylene ether) and branch chain AE121 (tetraethylenehexamine polyoxypropylene-polyoxyethyl...
The dilational viscoelasticity properties of decane-water interface containing two demulsifiers with straight chain SP169 (octadecanol polyoxypropylene-polyoxyethylene ether) and branch chain AE121 (tetraethylenehexamine polyoxypropylene-polyoxyethyl...
2003, 19(04): 302-306
doi: 10.3866/PKU.WHXB20030404
Abstract:
A pair of optical isomerism amphiphlic molecules L-C10HL（N-(4-decaoxygen- 2-hydroxybenzene methylene)-L-leucine） and D-C10HL（N-(4-decaoxygen-2-hydroxybenzene methylene)-D-leucine）were synthesized. It was found that these two compounds showed superior...
A pair of optical isomerism amphiphlic molecules L-C10HL（N-(4-decaoxygen- 2-hydroxybenzene methylene)-L-leucine） and D-C10HL（N-(4-decaoxygen-2-hydroxybenzene methylene)-D-leucine）were synthesized. It was found that these two compounds showed superior...
2003, 19(04): 307-310
doi: 10.3866/PKU.WHXB20030405
Abstract:
Poly(1-aminoanthraquinone) is synthesized by chemical method and used as positive electrode in rechargeable lithium battery. Using the techniques of infrared (IR) spectrum, scan electronic microscopy (SEM), granularity, cyclic voltammograms (CVs) and...
Poly(1-aminoanthraquinone) is synthesized by chemical method and used as positive electrode in rechargeable lithium battery. Using the techniques of infrared (IR) spectrum, scan electronic microscopy (SEM), granularity, cyclic voltammograms (CVs) and...
2003, 19(04): 311-314
doi: 10.3866/PKU.WHXB20030406
Abstract:
The fluorescence-doped silica nanoparticles (FDS-NP) were synthesized in a microemulsion system of polyoxyethylene nonylphenyl ether (OP-10)/ cyclohexane/ammonium hydroxide. To elucidate the character of FDS-NP, techniques of electron microscopy, ana...
The fluorescence-doped silica nanoparticles (FDS-NP) were synthesized in a microemulsion system of polyoxyethylene nonylphenyl ether (OP-10)/ cyclohexane/ammonium hydroxide. To elucidate the character of FDS-NP, techniques of electron microscopy, ana...
2003, 19(04): 315-319
doi: 10.3866/PKU.WHXB20030407
Abstract:
The kinetics of formation of ZnSe nanocrystals from the complex ZnSe (C2H8N2) has been investigated by means of non-isothermal TG-DTG at various heating rates of 5.0,10.0,15.0 and 20.0 ℃•min－1.The results show that the formation of ZnSe nanocrystals ...
The kinetics of formation of ZnSe nanocrystals from the complex ZnSe (C2H8N2) has been investigated by means of non-isothermal TG-DTG at various heating rates of 5.0,10.0,15.0 and 20.0 ℃•min－1.The results show that the formation of ZnSe nanocrystals ...
2003, 19(04): 320-325
doi: 10.3866/PKU.WHXB20030408
Abstract:
Four novel chiral dinuclear Salen complexes [(Cu)2L•H2O(2), (Ni)2L(3), (Zn)2L•H2O(4), (MnCl)2L•2H2O(5)] have been synthesized (L is chiral dimeric Salen ligand which is synthesized from (R, R)-diaminocyclohexane, 3,5-di-tert-butyl salicylaldehyde, 5,...
Four novel chiral dinuclear Salen complexes [(Cu)2L•H2O(2), (Ni)2L(3), (Zn)2L•H2O(4), (MnCl)2L•2H2O(5)] have been synthesized (L is chiral dimeric Salen ligand which is synthesized from (R, R)-diaminocyclohexane, 3,5-di-tert-butyl salicylaldehyde, 5,...
2003, 19(04): 326-328
doi: 10.3866/PKU.WHXB20030409
Abstract:
Using urea as homogeneous precipitant, the precursor of mesoporous zirconia was synthesized by hydrothermal method. After heat-treatment at 500～550 ℃ for 2 h, the crystalline (t or m phase) mesoporous zirconia with short-range order was prepared. The...
Using urea as homogeneous precipitant, the precursor of mesoporous zirconia was synthesized by hydrothermal method. After heat-treatment at 500～550 ℃ for 2 h, the crystalline (t or m phase) mesoporous zirconia with short-range order was prepared. The...
2003, 19(04): 329-333
doi: 10.3866/PKU.WHXB20030410
Abstract:
The photocatalytic generation of hydrogen from water using single and binary component pollutants as electron donors in aqueous Pt/TiO2 suspension has been investigated. The adsorption of these donors on TiO2 was also monitored by in situ attenuated ...
The photocatalytic generation of hydrogen from water using single and binary component pollutants as electron donors in aqueous Pt/TiO2 suspension has been investigated. The adsorption of these donors on TiO2 was also monitored by in situ attenuated ...
2003, 19(04): 334-337
doi: 10.3866/PKU.WHXB20030411
Abstract:
The quantitative structure-property relationship(QSPR) was used to predict cloud point of nonionic surfactants. Several structural, electronic, spatial and thermodynamic properties were selected as descriptors to build the relation between the macros...
The quantitative structure-property relationship(QSPR) was used to predict cloud point of nonionic surfactants. Several structural, electronic, spatial and thermodynamic properties were selected as descriptors to build the relation between the macros...
2003, 19(04): 338-341
doi: 10.3866/PKU.WHXB20030412
Abstract:
The alcoholysis of dichloromethylsilane has been studied experimentally and theoretically, the first and the second step both are cooperating exothermic processes. The best reaction temperature (30 ℃), the best proportion of ethanol and dichloromethy...
The alcoholysis of dichloromethylsilane has been studied experimentally and theoretically, the first and the second step both are cooperating exothermic processes. The best reaction temperature (30 ℃), the best proportion of ethanol and dichloromethy...
Studies on PEMFC Electrocatalysts: Physicochemical Characterization of Homemade Pt/C Electrocatalyst
2003, 19(04): 342-346
doi: 10.3866/PKU.WHXB20030413
Abstract:
A homemade Pt/C electrocatalyst(named as THYT-1) for proton-exchange membrane fuel cell(PEMFC) was prepared and characterized comprehensively. Single-cell measurements showed that the performance of THYT-1 for hydrogen electro-oxidation was superior ...
A homemade Pt/C electrocatalyst(named as THYT-1) for proton-exchange membrane fuel cell(PEMFC) was prepared and characterized comprehensively. Single-cell measurements showed that the performance of THYT-1 for hydrogen electro-oxidation was superior ...
2003, 19(04): 347-351
doi: 10.3866/PKU.WHXB20030414
Abstract:
Carbon nanotubes were prepared from catalytic decomposition of methane on an aerogel catalyst. The structure of carbon nanotubes was characterized by XRD,TGA,SEM,TEM and Raman spectroscopic methods. The carbon nanotubes grown on the aerogel catalysts...
Carbon nanotubes were prepared from catalytic decomposition of methane on an aerogel catalyst. The structure of carbon nanotubes was characterized by XRD,TGA,SEM,TEM and Raman spectroscopic methods. The carbon nanotubes grown on the aerogel catalysts...
2003, 19(04): 352-355
doi: 10.3866/PKU.WHXB20030415
Abstract:
Equilibrium molecular dynamics simulations have been used to calculate the shear viscosity of fluid ar n both in macrovolume system and in porous media at different temperatures, densities and pore widths. Simultaneously, based on the Chapman-Enskog(...
Equilibrium molecular dynamics simulations have been used to calculate the shear viscosity of fluid ar n both in macrovolume system and in porous media at different temperatures, densities and pore widths. Simultaneously, based on the Chapman-Enskog(...
2003, 19(04): 356-360
doi: 10.3866/PKU.WHXB20030416
Abstract:
Density function (B3LYP) method with relativistic effective core potential (RECP) have been used to optimize the structures for the ground states (X5Σ－,X5A2) of PuC and PuC2 molecules. For PuC2（C2v） molecule, the equilibrium geometry, dissociation en...
Density function (B3LYP) method with relativistic effective core potential (RECP) have been used to optimize the structures for the ground states (X5Σ－,X5A2) of PuC and PuC2 molecules. For PuC2（C2v） molecule, the equilibrium geometry, dissociation en...
2003, 19(04): 361-363
doi: 10.3866/PKU.WHXB20030417
Abstract:
The thermodynamic properties of the system HCl-In2(SO4)3-H2O were studied by EMF measurement in cells without liquid junction:Pt, H2(101.325 kPa )│HCl(mA), In2(SO4)3(mB),H2O│AgCl-Ag (A)at constant total ionic strength I = 0.2、0.4、0.6、0.8...
The thermodynamic properties of the system HCl-In2(SO4)3-H2O were studied by EMF measurement in cells without liquid junction:Pt, H2(101.325 kPa )│HCl(mA), In2(SO4)3(mB),H2O│AgCl-Ag (A)at constant total ionic strength I = 0.2、0.4、0.6、0.8...
2003, 19(04): 364-367
doi: 10.3866/PKU.WHXB20030418
Abstract:
The diffusion coefficients of the SDS(Sodium dodecyl sulfate) molecules in lyotropic liquid crystal of SDS/n-C5H11OH/H2O system have been determined by the method of platinum microelectrode voltammetry.The results show that the diffusion coefficients...
The diffusion coefficients of the SDS(Sodium dodecyl sulfate) molecules in lyotropic liquid crystal of SDS/n-C5H11OH/H2O system have been determined by the method of platinum microelectrode voltammetry.The results show that the diffusion coefficients...
2003, 19(04): 368-371
doi: 10.3866/PKU.WHXB20030419
Abstract:
The effects of structurally-specific carboxylates on the crystallization of calcium oxalate(CaOx) were investigated in gel by a double diffusion technique. The ability to inhibit the aggregation of calcium oxalate monohydrate (COM) follows the sequen...
The effects of structurally-specific carboxylates on the crystallization of calcium oxalate(CaOx) were investigated in gel by a double diffusion technique. The ability to inhibit the aggregation of calcium oxalate monohydrate (COM) follows the sequen...
2003, 19(04): 372-375
doi: 10.3866/PKU.WHXB20030420
Abstract:
The EIS of the anodic dissolution process of pure aluminum in an alkaline solution was fitted using an expression of Faradic admittance previously proposed by Cao[11-12], based on which the mechanism of the process was proposed. The results show that...
The EIS of the anodic dissolution process of pure aluminum in an alkaline solution was fitted using an expression of Faradic admittance previously proposed by Cao[11-12], based on which the mechanism of the process was proposed. The results show that...
2003, 19(04): 376-379
doi: 10.3866/PKU.WHXB20030421
Abstract:
An efficient method for separating thin-long carbon nanotubes (CNTs)from carbon fibers is presented. The process involves grinding, dispersion, flocculating deposition and filtration treatments. SEM, TEM and TGA were used to evaluate the purification...
An efficient method for separating thin-long carbon nanotubes (CNTs)from carbon fibers is presented. The process involves grinding, dispersion, flocculating deposition and filtration treatments. SEM, TEM and TGA were used to evaluate the purification...
2003, 19(04): 380-384
doi: 10.3866/PKU.WHXB20030422
Abstract:
The influences of methanol on the performances of Pt/C and CoPcTc(cobalt of tetracarboxyl phthalocyanine)/C heat-treated at 800 ℃ for oxygen reduction reaction(ORR) were studied and compared. The results showed that for Pt/C electrocatalyst methanol ...
The influences of methanol on the performances of Pt/C and CoPcTc(cobalt of tetracarboxyl phthalocyanine)/C heat-treated at 800 ℃ for oxygen reduction reaction(ORR) were studied and compared. The results showed that for Pt/C electrocatalyst methanol ...
