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 ...

the presence of van der waals (vdw) force can lead to mechanical instability in freestanding nano-scale actuators. most of the previous researches in this area have exclusively focused on modeling the instability in actuators with one actuating components. while, less attention has been paid to actuators consist of two actuating components. herein, the effect of the vdw force on the instability...

The Casimir attraction can significantly interfere the physical response of nanoactuators. The intensity of the Casimir force depends on the geometries of interacting bodies. The present paper is dedicated to model the influence of the Casimir attraction on the electrostatic stability of nanoactuators made of cylindrical conductive nanowire/nanotube. An asymptotic solution, based on path-integr...

In this article, curvature effects on elastic thermal buckling of double-walled carbon nanotubes under axially compressed force are investigated using cylindrical shell model. Also, the small scale effect is taken into account in the formulation. The dependence of the interlayer van der Waals (vdW) pressure on the change of the curvatures of the inner and outer tubes at that point is considered...

The presence of van der Waals (vdW) force can lead to mechanical instability in freestanding nano-scale actuators. Most of the previous researches in this area have exclusively focused on modeling the instability in actuators with one actuating components. While, less attention has been paid to actuators consist of two actuating components. Herein, the effect of the vdW force on the instability...

The accurate description of van der Waals forces within density functional theory is currently one of the most active areas of research in computational physics and chemistry. Here we report results on the structural and energetic properties of graphite and hexagonal boron nitride, two layered materials where interlayer binding is dominated by van der Waals forces. Results from several density ...

Receptor surfaces have been generated with a training set of 50 steroids active against cytochrome P450 enzyme, aromatase, using the Drug Discovery Workbench (Ceriui). A combination of van der Waals-electrostatic and Wyvill­ partial-charge force fields together with overlay of 17and 1 3-atoms of the steroid ligand resulted in four different receptor surface models. These models have high conven...

The importance of accurately treating van der Waals interactions between the quantum mechanical (QM) and molecular mechanical (MM) atoms in hybrid QM/MM simulations has been investigated systematically. First, a set of van der Waals (vdW) parameters was optimized for an approximate density functional method, the self-consistent charge-tight binding density functional (SCC-DFTB) approach, based ...

In this article, based on the Euler-Bernoulli beam theory, the large-amplitude vibration of multiwalled carbon nanotubes embedded in an elastic medium is investigated. The method of incremental harmonic balance is implemented to solve the set of governing nonlinear equations coupled via the van der Waals (vdW) interlayer force. The influences of number of tube walls, the elastic medium, nanotub...