The hydrophobic-hydrophilic segment geometries of 36 sodium alkyl benzenesulfonates were fully optimized and calculated by abinitio RHF/6-31G（d）, quantum chemical data such as the charge density, the energy of molec...The hydrophobic-hydrophilic segment geometries of 36 sodium alkyl benzenesulfonates were fully optimized and calculated by abinitio RHF/6-31G（d）, quantum chemical data such as the charge density, the energy of molecular orbital and the dipole moment were obtained. Based on two topological descriptors and one quantum chemical descriptor, a significant quantitative structure-property relationship （QSPR） model for the critical micelle concentration （Cmc） of sodium alkyl benzenesulfonate surfactants was obtained by using the multiple linear regression technique. The good correlation coefficient of Re （0. 980） and cross-validation correlation coefficient Rcv^2 （0. 974） indicate the excellent capability and stability of the regression equation developed. In addition, linear relationships between logarithm of Cmc and the dipole moment of surfaetant hydrophobic hydrophilic segments for each homologous series have also been established with high correlation coefficient.展开更多
Friction coefficients(static friction coefficient(SFC)and dynamic friction coefficient(DFC))of pomegranate seed on different structural surfaces(glass,aluminum,plywood,galvanized steel and rubber)as affected by moistu...Friction coefficients(static friction coefficient(SFC)and dynamic friction coefficient(DFC))of pomegranate seed on different structural surfaces(glass,aluminum,plywood,galvanized steel and rubber)as affected by moisture content(4-21.9%(d.b.))and sliding velocity(1.4-16(cm/s))were investigated.Analysis of variance(ANOVA)was performed to determine the effect of main treatments and their interactions on SFC and DFC.Significance of single or multiple effect of the main treatments with five levels was assessed using Duncan’s multiple range test(DMRT).To predict SFC and DFC,multiple linear regression(MLR)modeling technique was applied for each type of structural surface.The goodness of fit of each MLR model was evaluated using statistical parameters:coefficient of determination,root mean square error and mean relative deviation modulus.Results showed that the minimum and maximum SFC or DFC were in minimum and maximum moisture content on glass and rubber surface,respectively.ANOVA table indicated the significant effect of main treatments and their interactions on SFC and DFC at significance level of 1%(P<0.01).According to DMRT results,SFC linearly increased as moisture content increased and DFC increased also linearly as individual or simultaneous increment of moisture content and sliding velocity occurred,for all experimental conditions.According to the obtained statistical parameters,both SFC and DFC were properly predicted by means of MLR modeling technique.展开更多
文摘The hydrophobic-hydrophilic segment geometries of 36 sodium alkyl benzenesulfonates were fully optimized and calculated by abinitio RHF/6-31G（d）, quantum chemical data such as the charge density, the energy of molecular orbital and the dipole moment were obtained. Based on two topological descriptors and one quantum chemical descriptor, a significant quantitative structure-property relationship （QSPR） model for the critical micelle concentration （Cmc） of sodium alkyl benzenesulfonate surfactants was obtained by using the multiple linear regression technique. The good correlation coefficient of Re （0. 980） and cross-validation correlation coefficient Rcv^2 （0. 974） indicate the excellent capability and stability of the regression equation developed. In addition, linear relationships between logarithm of Cmc and the dipole moment of surfaetant hydrophobic hydrophilic segments for each homologous series have also been established with high correlation coefficient.
文摘Friction coefficients(static friction coefficient(SFC)and dynamic friction coefficient(DFC))of pomegranate seed on different structural surfaces(glass,aluminum,plywood,galvanized steel and rubber)as affected by moisture content(4-21.9%(d.b.))and sliding velocity(1.4-16(cm/s))were investigated.Analysis of variance(ANOVA)was performed to determine the effect of main treatments and their interactions on SFC and DFC.Significance of single or multiple effect of the main treatments with five levels was assessed using Duncan’s multiple range test(DMRT).To predict SFC and DFC,multiple linear regression(MLR)modeling technique was applied for each type of structural surface.The goodness of fit of each MLR model was evaluated using statistical parameters:coefficient of determination,root mean square error and mean relative deviation modulus.Results showed that the minimum and maximum SFC or DFC were in minimum and maximum moisture content on glass and rubber surface,respectively.ANOVA table indicated the significant effect of main treatments and their interactions on SFC and DFC at significance level of 1%(P<0.01).According to DMRT results,SFC linearly increased as moisture content increased and DFC increased also linearly as individual or simultaneous increment of moisture content and sliding velocity occurred,for all experimental conditions.According to the obtained statistical parameters,both SFC and DFC were properly predicted by means of MLR modeling technique.
