Thermodynamic functions solutions of a 25 binary systems formed n-alcohols and esters of aliphatic acids by were calculated using the standards ideal solution and ideal gas. The value change regularity of the thermody...Thermodynamic functions solutions of a 25 binary systems formed n-alcohols and esters of aliphatic acids by were calculated using the standards ideal solution and ideal gas. The value change regularity of the thermodynamic functions of solutions depending on their molar mass and concentration of the solutions＇ components was determined by the thermodynamic analysis. The method of prediction of the thermodynamic properties of binary solutions was suggested on the basis of the determined regularities. The corresponding equations were obtained.展开更多
Recently Rafiee et al. experimentally demonstrated the wetting transparency of graphene, but there is still no comprehensive theoretical explanation of this physical phenomenon. Since surface free energy is one of the...Recently Rafiee et al. experimentally demonstrated the wetting transparency of graphene, but there is still no comprehensive theoretical explanation of this physical phenomenon. Since surface free energy is one of the most important parameters characterizing material surfaces and is closely related to the wetting behavior, the surface free energy of suspended monolayer graphene is analyzed based on its microscopic formation mechanism. The surface free energy of suspended monolayer graphene is shown to be zero, which suggests its super-hydrophobicity. Neumann's equation of state is applied to further illustrate the contact angle, θ, of any liquid droplet on a suspended monolayer graphene is 180 o. This indicates that the van der Waals(vd W) interactions between the monolayer graphene and any liquid droplet are negligible; thus the monolayer graphene coatings exhibit wetting transparency to the underlying substrate. Moreover, molecular dynamics(MD) simulations are employed to further confirm the wetting transparency of graphene in comparison with experimental results of Rafiee et al. These findings provide a fundamental picture of wetting on ideal single atomic layer materials, including monolayer graphene. Thus, these results provide a useful guide for the design and manufacture of biomaterials, medical instruments, and renewable energy devices with monolayer graphene layers.展开更多
Some successful vapor-liquid equilibrium(VLE) mixing rules based on excess free energy models proposed in recent years combines the advantages owned partially by equations of state and activity coefficient models to o...Some successful vapor-liquid equilibrium(VLE) mixing rules based on excess free energy models proposed in recent years combines the advantages owned partially by equations of state and activity coefficient models to obtain the better prediction for nonpolar and polar systems.The paper coupled with the merits of MHV1 mixing rule, LCVM mixing rule and WS mixing rule to put forward the new two-parameter mixing rule which satisfies the second viral coefficient boundary condition.The new mixing rule, coupled with the PR equation of state and the NRTL model is tested against 18 kinds of vapor-liquid equilibrium data of nonpolar, nonpolar-polar/polar-nonpolar,and polar-polar systems.The test results indicate that the new model can yield better prediction.Compared to the other two mixing rules (WS,MHV1), the new model shows better VLE prediction capabilities of binary mixtures.展开更多
文摘Thermodynamic functions solutions of a 25 binary systems formed n-alcohols and esters of aliphatic acids by were calculated using the standards ideal solution and ideal gas. The value change regularity of the thermodynamic functions of solutions depending on their molar mass and concentration of the solutions＇ components was determined by the thermodynamic analysis. The method of prediction of the thermodynamic properties of binary solutions was suggested on the basis of the determined regularities. The corresponding equations were obtained.
基金the National Natural Science Foundation of China (Grant No. 51636002 and No. 51706118)the National Postdoctoral Program for Innovative Talents of China (Grant No. BX201600081)China Postdoctoral Science Foundation (Grant No. 2017M610889)
文摘Recently Rafiee et al. experimentally demonstrated the wetting transparency of graphene, but there is still no comprehensive theoretical explanation of this physical phenomenon. Since surface free energy is one of the most important parameters characterizing material surfaces and is closely related to the wetting behavior, the surface free energy of suspended monolayer graphene is analyzed based on its microscopic formation mechanism. The surface free energy of suspended monolayer graphene is shown to be zero, which suggests its super-hydrophobicity. Neumann's equation of state is applied to further illustrate the contact angle, θ, of any liquid droplet on a suspended monolayer graphene is 180 o. This indicates that the van der Waals(vd W) interactions between the monolayer graphene and any liquid droplet are negligible; thus the monolayer graphene coatings exhibit wetting transparency to the underlying substrate. Moreover, molecular dynamics(MD) simulations are employed to further confirm the wetting transparency of graphene in comparison with experimental results of Rafiee et al. These findings provide a fundamental picture of wetting on ideal single atomic layer materials, including monolayer graphene. Thus, these results provide a useful guide for the design and manufacture of biomaterials, medical instruments, and renewable energy devices with monolayer graphene layers.
文摘Some successful vapor-liquid equilibrium(VLE) mixing rules based on excess free energy models proposed in recent years combines the advantages owned partially by equations of state and activity coefficient models to obtain the better prediction for nonpolar and polar systems.The paper coupled with the merits of MHV1 mixing rule, LCVM mixing rule and WS mixing rule to put forward the new two-parameter mixing rule which satisfies the second viral coefficient boundary condition.The new mixing rule, coupled with the PR equation of state and the NRTL model is tested against 18 kinds of vapor-liquid equilibrium data of nonpolar, nonpolar-polar/polar-nonpolar,and polar-polar systems.The test results indicate that the new model can yield better prediction.Compared to the other two mixing rules (WS,MHV1), the new model shows better VLE prediction capabilities of binary mixtures.
