Classical trajectory (Monte Carlo) calculation is used to calculate collision rate constants of ion-quadrupolar molecule interactions for the H¯+C2H2 system. The method presented here takes into account the effect of the induced dipole-induced dipole potential on ion-quadrupolar molecule collision rate constants. It is also assumed that the colliding particles have a d...

dezful embayment contains several potential source rocks deposited in tectonically active environments. existence of various source rocks with different geological ages makes this area one of the most prolific regions throughout the middle east. the pabdeh formation (lower paleocene-eocene), the gurpi formation (santonian-masstrichtian), the kazhdumi formation (albian) and the gadvan formation ...

The thermal conductivity of graphene nanoribbons (GNRs) has been investigatedusing equilibrium molecular dynamics (EMD) simulation based on Green-Kubo (GK)method to compare two interatomic potentials namely optimized Tersoff and 2nd generationReactive Empirical Bond Order (REBO). Our comparative study includes the estimation ofthermal conductivity as a function of temperature, l...

In the present work, the integral equations method is used to calculate transport properties of polar fluids. For this goal, we use the Stockmayer potential and examine theoretically the thermal conductivity of several refrigerant mixtures such as R125+R134a, R125+R32, R125+R152a, R134a+R32, R152a+R32, R134a+R143a, and R125+R143a. We solve numerically the Ornstein-Zernike (OZ) equation usin...