Related papers: Role of virial coefficients in chemical reaction
The temperature dependence of the rate of the reaction CH_4+H \to CH_3+H_2 is studied using classical collision theory with a temperature-dependent effective potential derived from a path integral analysis. Analytical expressions are…
The Cahn-Hilliard and Ginzburg-Landau (Allen-Cahn) equations are derived from the second law. The intuitive approach by separation of full divergences is supported by a more rigorous method, based on Liu procedure and a constitutive entropy…
The article presents results of preliminary study of solutions to recently offered basic thermodynamic equation for equilibrium in chemical systems with focus on chaotic behavior. Classical part of that equation was investigated earlier in…
A mathematically consistent procedure for coupling quasiclassical and quantum variables through coupled Hamilton-Heisenberg equations of motion is derived from a variational principle. During evolution, the quasiclassical variables become…
We derive a class of thermodynamically consistent variants of Maxwell/Oldroyd-B type models for viscoelastic fluids. In particular, we study the models that allow one to consider temperature dependent material coefficients. This naturally…
We investigate the stationary nonequilibrium states of a quasi one-dimensional system of heavy particles whose interaction is mediated by purely elastic collisions with light particles, in contact at the boundary with two heat baths with…
Starting from the von Neumann equation, we construct the quantum evolution equation for the effective action for systems in mixed states. This allows us to find the hierarchy of equations which describe the time evolution of equal time…
We develop fluctuational electrodynamics for media with nonlinear optical response in and out of thermal equilibrium. Starting from the stochastic nonlinear Helmholtz equation and using the fluctuation dissipation theorem, we obtain…
Thermophoresis (thermodiffusion, Soret effect) moves molecules along thermal gradients. We measure its phenomenological linear drift relation by single particle tracking in convection-free settings. For moderate thermal gradients, drift…
We analyze the stability of a planar solid-solid interface at which a chemical reaction occurs. Examples include oxidation, nitridation, or silicide formation. Using a continuum model, including a general formula for the stress-dependence…
Nonequilibrium steady state of isothermal biochemical cycle kinetics has been extensively studied, but much less investigated under non-isothermal conditions. However, once the heat exchange between subsystems is rather slow, the isothermal…
The van der Waals (VDW) equation of state is a simple and popular model to describe the pressure function in equilibrium systems of particles with both repulsive and attractive interactions. This equation predicts an existence of a…
A class of variable coefficient (1+1)-dimensional nonlinear reaction-diffusion equations of the general form $f(x)u_t=(g(x)u^nu_x)_x+h(x)u^m$ is investigated. Different kinds of equivalence groups are constructed including ones with…
A simple and computationally efficient scheme to calculate approximate imaginary-frequency dependent polarizability, hence asymptotic van der Waals coefficient, within density functional theory is proposed. The dynamical dipolar…
The quantum instanton approximation is a type of quantum transition state theory that calculates the chemical reaction rate using the reactive flux correlation function and its low order derivatives at time zero. Here we present several…
The power-law TST reaction rate coefficient for an elementary bimolecular reaction is studied when the reaction takes place in a nonequilibrium system with power-law distributions. We derive a generalized TST rate coefficient, which not…
It is shown that the partial temperatures of a homogeneous multicomponent gas mixture in the thermodynamical equilibrium cannot be equal to each other. New general solutions for equilibrium distribution functions of the multicomponent…
In Nonequilibrium Thermodynamics and Information Theory, the relative entropy (or, KL divergence) plays a very important role. Consider a H\"older Jacobian $J$ and the Ruelle (transfer) operator $\mathcal{L}_{\log J}.$ Two equilibrium…
The effective theory of an open boson or fermion system is studied, which evolves out of equilibrium with time-dependent Hamiltonian $\hat{H}(t)$. A measure of nonequilibrium temperature for the open system evolving from an equilibrium is…
A systematic study of the leading isotropic van der Waals coefficients for the alkali-metal atom + molecule and molecule + molecule systems is presented. Dipole moments and static and dynamic dipole polarizabilities are calculated employing…