The contact angle phenomena and wetting behavior of fatty acids,alcohols and ester used as additives in lubricants onto the rolled copper foil(RCF)surface were studied by the static sessile drop method.Semi-empirical ...The contact angle phenomena and wetting behavior of fatty acids,alcohols and ester used as additives in lubricants onto the rolled copper foil(RCF)surface were studied by the static sessile drop method.Semi-empirical quantum-chemical method studies on the contact angle of these compounds onto surface using several structural parameters were carried out.Molecular refractivity as well as several structural parameters were adopted in the development of quantitative structure-property relationships(QSPR)using genetic function approximation(GFA)statistical analysis method.The results show that quantum parameters are a better choice when predicting the contact angle and wettability of lubricants onto the RCF surface.Contact angle of the compounds serves as a function of their viscosity,interfacial tension,and physicochemical parameters.Alog P,molecular refractivity,molecular flexibility,total molecular mass,solvent surface area,element count,total energy and dipole are the most sensitive ones among the major contributing parameters.Notably,studies of lubricants on the RCF surfaces allow wetting theories to be tested down to the microcosmic scale,which can bring about new insight to predict wettability of lubricants onto RCF surface.展开更多
基金the financial assistance provided by the Introducing the Talent Research Start-up Fund(No.YKJ201706)the National Natural Science Foundation of China(No.51474025)
文摘The contact angle phenomena and wetting behavior of fatty acids,alcohols and ester used as additives in lubricants onto the rolled copper foil(RCF)surface were studied by the static sessile drop method.Semi-empirical quantum-chemical method studies on the contact angle of these compounds onto surface using several structural parameters were carried out.Molecular refractivity as well as several structural parameters were adopted in the development of quantitative structure-property relationships(QSPR)using genetic function approximation(GFA)statistical analysis method.The results show that quantum parameters are a better choice when predicting the contact angle and wettability of lubricants onto the RCF surface.Contact angle of the compounds serves as a function of their viscosity,interfacial tension,and physicochemical parameters.Alog P,molecular refractivity,molecular flexibility,total molecular mass,solvent surface area,element count,total energy and dipole are the most sensitive ones among the major contributing parameters.Notably,studies of lubricants on the RCF surfaces allow wetting theories to be tested down to the microcosmic scale,which can bring about new insight to predict wettability of lubricants onto RCF surface.
