Based on the surface chemical potential and Peng-Robinson equation of state,a newmodel is proposed to predict and correlate the surface tensions of binary and ternary liquid mix-tures.Using this method,the surface ten...Based on the surface chemical potential and Peng-Robinson equation of state,a newmodel is proposed to predict and correlate the surface tensions of binary and ternary liquid mix-tures.Using this method,the surface tensions of 73 binary and 8 ternary systems are calculatedwith average relative deviations 1.35% and 3.52% respectively.The proposed model is simple, re-liable and accurate.展开更多
A new equation for predicting surface tension is proposed based on the thermodynamic definition of surface tension and the expression of the Gibbs free energy of the system. Using the NRTL equation to represent the ex...A new equation for predicting surface tension is proposed based on the thermodynamic definition of surface tension and the expression of the Gibbs free energy of the system. Using the NRTL equation to represent the excess Gibbs free energy, a two-parameter surface tension equation is derived. The feasibility of the new equation has been tested in terms of 124 binary and 16 multicomponent systems(13-ternary and 3-quaternary) with absolute relative deviations of 0.59% and 1.55% respectively. This model is also predictive for the temperature dependence of surface tension of liquid mixtures. It is shown that, with good accuracy, this equation is simple and reliable for practical use.展开更多
The equation of state(EOS)for square-well chain fluid with variable range(SWCF-VR) developed in our previous work based on statistical mechanical theory for chemical association is employed for the correlations of sur...The equation of state(EOS)for square-well chain fluid with variable range(SWCF-VR) developed in our previous work based on statistical mechanical theory for chemical association is employed for the correlations of surface tension and viscosity of common fluids and ionic liquids(ILs).A model of surface tension for multi-component mixtures is presented by combining the SWCF-VR EOS and the scaled particle theory and used to produce the surface tension of binary and ternary mixtures.The predicted surface tensions are in excellent agreement with the experimental data with an overall average absolute relative deviation(AAD)of 0.36%.A method for the calculation of dynamic viscosity of common fluids and ILs at high pressure is presented by combining Eyring’s rate theory of viscosity and the SWCF-VR EOS.The calculated viscosities are in good agreement with the experimental data with the overall AAD of 1.44% for 14 fluids in 84 cases.The salient feature is that the molecular parameters used in these models are self-consistent and can be applied to calculate different thermodynamic properties such as pVT,vapor-liquid equilibrium,caloric properties,surface tension,and viscosity.展开更多
The characterization of reactive solid-liquid interfacial energies and solid surface energies is a pressing problem in materials science and surface science. Based on the concept that unbalanced forces doing work, a m...The characterization of reactive solid-liquid interfacial energies and solid surface energies is a pressing problem in materials science and surface science. Based on the concept that unbalanced forces doing work, a mathematical formulation between surface energies and interfacial energies for reactive wetting is presented. The resulting formalism has significant generality in which the equilibrium Young's equation for solid-liquid interfacial energies is just a special case. It is shown that a solid-liquid interfacial energy at non-equilibrium is always higher than that at equilibrium, and that the transformation of reactive interfaces to equilib-rium interfaces is an inevitable, spontaneous process. The numerical range of solid-liquid interfacial energies γsl for a limited, solid-liquid interfacial wetting system was calculated to be 0 ≤γsl ≤γsg. The calculation methods for reactive solid-liquid interfacial energies and solid surface energies are presented. They are significant for composite materials and weld, powder sinter, package of electronic devices, and other surface and interfacial issues in metallurgy.展开更多
基金Project 29676020 supported by the National Nature Science Foundation of China.
文摘Based on the surface chemical potential and Peng-Robinson equation of state,a newmodel is proposed to predict and correlate the surface tensions of binary and ternary liquid mix-tures.Using this method,the surface tensions of 73 binary and 8 ternary systems are calculatedwith average relative deviations 1.35% and 3.52% respectively.The proposed model is simple, re-liable and accurate.
基金the Scientific Research Foundation of the State Education Ministry for Returned Overseas Chinese Scholar.
文摘A new equation for predicting surface tension is proposed based on the thermodynamic definition of surface tension and the expression of the Gibbs free energy of the system. Using the NRTL equation to represent the excess Gibbs free energy, a two-parameter surface tension equation is derived. The feasibility of the new equation has been tested in terms of 124 binary and 16 multicomponent systems(13-ternary and 3-quaternary) with absolute relative deviations of 0.59% and 1.55% respectively. This model is also predictive for the temperature dependence of surface tension of liquid mixtures. It is shown that, with good accuracy, this equation is simple and reliable for practical use.
基金Supported by the National Natural Science Foundation of China （20776040 20876041 20736002） the National Basic Research Program of China （2009CB219902）+1 种基金 the Program for Changjiang Scholars and Innovative Research Team in University of China （Grant IRT0721） the 111 Project （Grant B08021） of China
文摘The equation of state(EOS)for square-well chain fluid with variable range(SWCF-VR) developed in our previous work based on statistical mechanical theory for chemical association is employed for the correlations of surface tension and viscosity of common fluids and ionic liquids(ILs).A model of surface tension for multi-component mixtures is presented by combining the SWCF-VR EOS and the scaled particle theory and used to produce the surface tension of binary and ternary mixtures.The predicted surface tensions are in excellent agreement with the experimental data with an overall average absolute relative deviation(AAD)of 0.36%.A method for the calculation of dynamic viscosity of common fluids and ILs at high pressure is presented by combining Eyring’s rate theory of viscosity and the SWCF-VR EOS.The calculated viscosities are in good agreement with the experimental data with the overall AAD of 1.44% for 14 fluids in 84 cases.The salient feature is that the molecular parameters used in these models are self-consistent and can be applied to calculate different thermodynamic properties such as pVT,vapor-liquid equilibrium,caloric properties,surface tension,and viscosity.
基金supported by the National Natural Science Foundation of China (50471007)the Natural Science Foundation of Fujian Province,China (2011J01292)
文摘The characterization of reactive solid-liquid interfacial energies and solid surface energies is a pressing problem in materials science and surface science. Based on the concept that unbalanced forces doing work, a mathematical formulation between surface energies and interfacial energies for reactive wetting is presented. The resulting formalism has significant generality in which the equilibrium Young's equation for solid-liquid interfacial energies is just a special case. It is shown that a solid-liquid interfacial energy at non-equilibrium is always higher than that at equilibrium, and that the transformation of reactive interfaces to equilib-rium interfaces is an inevitable, spontaneous process. The numerical range of solid-liquid interfacial energies γsl for a limited, solid-liquid interfacial wetting system was calculated to be 0 ≤γsl ≤γsg. The calculation methods for reactive solid-liquid interfacial energies and solid surface energies are presented. They are significant for composite materials and weld, powder sinter, package of electronic devices, and other surface and interfacial issues in metallurgy.
基金supported by the State Key Program of the National Natural Science of China(Grant No.91852204)the National Natural Science Foundation of China(Grant No.11772298).
