Moreover, as the presented equation and the Yu–Gao model require the same fitting parameters, the ability to calculate self-diffusion coefficients from the viscosity parameter is studied. Some of the classic reviewed relations, such as the Stokes–Einstein formula, are also contrasted with the ...
In thegas and liquid density regimes, the formula $D_{CERC}$ for the self-diffusioncoefficient is accurate within maximum 4% of the molecular dynamics simulationvalues reported in the literature. It is the most reliable among the formulaspresented...
By using a simple random walk theory for diffusion and a "coarse-grained" model for the cholesteric structure, an expression for the self-diffusion coefficient along the pitch axis is readily derived. An interpretation of recent experimental results is attempted with this formula and the range of...
Self-diffusion coefficients in dense fluids; the corrected Enskog theory 喜欢 0 阅读量: 23 作者: JH Dymond 摘要: An expression is given relating the exact self-diffusion coefficients for dense hard sphere systems, obtained by the method of molecular dynamics, to the molar volume. It is ...
In the previous method, we have used the hard sphere self-diffusion coefficient for the pre-exponential factor in the MFV theory formula for the self-diffusion coefficient. We show in this paper that if the hard sphere self-diffusion coefficient used for the pre-exponential factor is replaced ...
自扩散,Self-diffusion 1)Self-diffusion自扩散 1.A molecular dynamics study of adatom self-diffusion on Re(0001) surface利用分子动力学方法研究吸附原子在Re(0001)表面的自扩散行为(英文) 2.The oxygen ion and aluminum ion self-diffusion parameters in alumina single ciystals were reviewed and assessed...
摘要: Self-diffusion coefficients have been calculated by the method of Ascarelli and Paskin, using the new hard-sphere equation of state developed by Carnahan and Starling. The results show a higher temperature dependence and yield, in general, a more accurate description of liquid-metal data....
The electrostatic self-energy formulae for few special charged bodies are usually given in the present literature.In the past it was rare for people to study the self-energy characteristic of general charged bodies and its law.In this paper,the concept of self-energy coefficient is introduced an...
2D) demonstrates that all resonances of S-26+ have the same diffusion coefficient. By using the Stokes–Einstein equation, the hydrodynamic diameter of S-26+ was calculated to be ~2.6 nm. In the framework of S-26+, the protons e/e’ become diastereotopic in the 1H NMR spectrum, ...
({C}_{x}(t)={\langle {F}_{w,x}({t}_{0}){F}_{w,x}(t+{t}_{0})\rangle }_{{t}_{0}}\) converges toward a sharp peak at t = 0, which can be approximated by a Dirac function, namely Cx(t) ≃ 2Dδ(t) where D defines an effective diffusion coefficient. ...