Thermomolecular orientation of nonpolar fluids.
نویسندگان
چکیده
We investigate the response of molecular fluids to temperature gradients. Using nonequilibrium molecular dynamics computer simulations we show that nonpolar diatomic fluids adopt a preferred orientation as a response to a temperature gradient. We find that the magnitude of this thermomolecular orientation effect is proportional to the strength of the temperature gradient and the degree of molecular anisotropy, as defined by the different size or mass of the molecular atomic sites. We show that the preferred orientation of the molecules follows the same trends observed in the Soret effect of binary mixtures. We argue this is a general effect that should be observed in a wide range of length scales.
منابع مشابه
An Improved Correlation for Second Virial Coefficients of Pure Fluids
In the present work, a modified correlation is presented for the second virial coefficients of both polar and nonpolar fluids based on the corresponding states principle. The second virial coefficients of gaseous polar and non-polar compounds were calculated and compared with experimental data and with other correlations. Comparisons with the existing correlations show that the present work is ...
متن کاملThermo-molecular orientation effects in fluids of dipolar dumbbells.
We use molecular dynamics simulations in applied thermal gradients to study thermomolecular orientation (TMO) of size-asymmetric dipolar dumbbells with different molecular dipole moments. We find that the direction of the TMO is the same as in apolar dumbbells of the same size, i.e. the smaller atom in the dumbbell tends to orient towards the colder temperature. The ratio of the electrical pola...
متن کاملLattice discretization effects on the critical parameters of model nonpolar and polar fluids
The effects of the ratio of particle diameter to lattice spacing, z, on critical parameters for both polar and nonpolar fluids have been examined in detail. Nonpolar systems studied have short range Buckingham exponential-6 interactions, while polar systems have long range Coulombic forces treated with Ewald summation. Monte Carlo simulations in the grand canonical ensemble combined with histog...
متن کاملConfinement effects in premelting dynamics.
We examine the effects of confinement on the dynamics of premelted films driven by thermomolecular pressure gradients. Our approach is to modify a well-studied setting in which the thermomolecular pressure gradient is driven by a temperature gradient parallel to an interfacially premelted elastic wall. The modification treats the increase in viscosity associated with the thinning of films, stud...
متن کاملThe Effect of Model Internal Flexibility Upon NEMD Simulations of Viscosity
The influence of model flexibility upon simulated viscosity was investigated. NEMD simulations of viscosity were performed on seven pure fluids using three different models for each: one with rigid bonds and angles, one with flexible angles and rigid bonds, and one with flexible bonds and angles. Three nonpolar fluids (propane, n-butane and isobutane), two moderately polar fluids (propyl chlori...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Physical review letters
دوره 108 10 شماره
صفحات -
تاریخ انتشار 2012