A crossover in anisotropic nanomechanochemistry of van der Waals crystals
نویسندگان
چکیده
Articles you may be interested in Isobaric first-principles molecular dynamics of liquid water with nonlocal van der Waals interactions A simplified implementation of van der Waals density functionals for first-principles molecular dynamics applications J. Density, structure, and dynamics of water: The effect of van der Waals interactions van der Waals isomers and ionic reactivity of the cluster system para-chlorofluorobenzene/methanol
منابع مشابه
Determination of the Second Virial Coefficient for Binary Mixtures of Ar with CH4 and CO using Van der Waals and Dieterici Models
In this paper, we calculate the second virial coefficient for binary mixtures of Ar with CH4 and CO in order to evaluate the performance of equations of state (EOSs). The investigated EOSs are van der Waals (vdW), Redlich-Kwong (RK), Peng-Robinson (PR), Carnahan-Starling–van der Waals (CS-vdW) and Guggenheim-van der Waals (G-vdW) based on van der Waals model. In our work, we also use Dieterici ...
متن کاملInvestigation of Thermodynamic Consistency Test of Carbon Dioxide (CO2) in Room-Temperature Ionic liquids using Generic van der Waals Equation of State
Thermodynamic consistency test of isothermal vapor-liquid equilibrium (VLE) data of various binary systems containing Carbon dioxide (CO2)/Room temperature ionic liquids (RTILs) have been investigated in wide ranges of pressures in each isotherm precisely. In this paper Generic van der Waals (GvdW) equation of state (EoS) coupled with modified van der Waals Berthelot mixing rule has ...
متن کاملVolumetric properties of high temperature, high pressure supercritical fluids from improved van der Waals equation of state
In the present work, a modified equation of state has been presented for the calculation of volumetric properties of supercritical fluids. The equation of state is van der Waals basis with temperature and density-dependent parameters. This equation of state has been applied for predicting the volumetric properties of fluids. The densities of fluids were calculated from the new equation of state...
متن کاملA Modified van der Waals Mixture Theory for Associating Fluids: Application to Ternary Aqueous Mixtures
In this study a simple and general chemical association theory is introduced. The concept of infinite equilibrium model is re-examined and true mole fractions of associated species are calculated. The theory is applied to derive the distribution function of associated species. As a severe test the application of presented theory to the van der Waals mixture model is introduced in order to p...
متن کاملVan der Waals interaction in uniaxial anisotropic media.
Van der Waals interactions between flat surfaces in uniaxial anisotropic media are investigated in the nonretarded limit. The main focus is the effect of nonzero tilt between the optical axis and the surface normal on the strength of the van der Waals attraction. General expressions for the van der Waals free energy are derived using the surface mode method and the transfer-matrix formalism. To...
متن کامل