The effect of van der Waals resonances on reactive cross sections for the F + HD reaction
نویسنده
چکیده
In this Letter we present integral cross sections for the F + HD reaction on the well-studied Stark-Werner (SW) potential energy surface. Time-independent quantum reactive scattering calculations were carried out using very small energy intervals, that can resolve sharp van der Waals resonance structures. It has been found that the sharp van der Waals resonance features still survive in the calculated integral cross sections in the collision energy range of 1.3-2.3 kcal/mol even after total angular momentum averaging. ______________________________________________________________________ E-mail address: [email protected]
منابع مشابه
Dynamical importance of van der Waals saddle and excited potential surface in C(1D)+D2 complex-forming reaction
Encouraged by recent advances in revealing significant effects of van der Waals wells on reaction dynamics, many people assume that van der Waals wells are inevitable in chemical reactions. Here we find that the weak long-range forces cause van der Waals saddles in the prototypical C(1D)+D2 complex-forming reaction that have very different dynamical effects from van der Waals wells at low colli...
متن کاملDetermination 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 کاملThe phase transition of corrected black hole with f(R) gravity
In this letter, we consider static black hole in f(R) gravity.We take advantage from corrected entropy and temperature and investigate such black hole. Finally, we study the $ P - V $ critically and phase transition of corrected black hole with respect to entropy and temperature. Here also, we obtain the heat capacity for the static black hole in $ f(R) $ gravity. This calculation help us...
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 کاملCFD-DEM Investigation on van der Waals Force in Gas-Solid Bubbling Fluidized Beds
Effect of interparticle force on the hydrodynamics of gas-solid fluidized beds was investigated using the combined method of computational fluid dynamics and discrete element method (CFD-DEM). The cohesive force between particles was considered to follow the van der Waals equation form. The model was validated by experimental results from literature in terms of bed voidage distribution and Eule...
متن کامل