Related papers: Molecular Energy Relations From Chemical Kinetics
Relations between the nuclear symmetry energy coefficient and its density derivatives are derived. The relations hold for a class of interactions with quadratic momentum dependence and a power-law density dependence. The structural…
We consider viscous, heat conducting mixtures of molecularly miscible chemical species forming a fluid in which the constituents can undergo chemical reactions. Assuming a common temperature for all components, we derive a closed system of…
A study of the correlation between nuclear temperatures and symmetry energy is presented for heavy-ion collisions at intermediate energies via the isospin-dependent quantum molecular-dynamics model. It is found that different symmetry…
Quantum chemical studies of reactivity involve calculations on a large number of molecular structures and comparison of their energies. Already the set-up of these calculations limits the scope of the results that one will obtain, because…
A kinetic equation which combines the quasiparticle drift of Landau's equation with a dissipation governed by a nonlocal and noninstant scattering integral in the spirit of Snider's equation for gases is derived. Consequent balance…
All current formulations of nonequilibrium thermodynamics of open chemical reaction networks rely on the assumption of non-interacting species. We develop a general theory which accounts for interactions between chemical species within a…
A theoretical framework is proposed for an energy decomposition scheme along the reaction coordinate, in which the ensemble average of the potential energy weighted with reactive flux intensity is decomposed into energy components at the…
A recombination reaction model for high-temperature chemical kinetics is derived from ab initio simulations data. A kinetic recombination rate model is derived using a recently developed ab initio state-specific dissociation model and the…
The use of mathematical methods for the analysis of chemical reaction systems has a very long history, and involves many types of models: deterministic versus stochastic, continuous versus discrete, and homogeneous versus spatially…
Resonance energies are frequently derived from precisely measured excitation energies and reaction Q-values. The latter quantities are usually calculated from atomic instead of nuclear mass differences. This procedure disregards the energy…
We derive the expressions for canonical energy, momentum, and angular momentum for multiple metric theories. We prove that although the metric fields are generally interacting, the total energy is the sum of conserved energies corresponding…
It is shown that the kinetics of time-reversible chemical reactions having the same equilibrium constant but different initial conditions are closely related to one another by a directly measurable symmetry relation analogous to chemical…
The structure of the rate of variation of the atomic energy for an arbitrary stationary motion of the atom in interaction with a quantum electromagnetic field is investigated. Our main purpose is to rewrite the formalism in Ref. \cite{zz}…
One-dimensional ideal diatomic gas is simulated through possible types of motion of a molecule. Energy of each type of its motion is calculated from theory and numerical method. Calculation of kinetic energy of an atom in…
Reaction rate equations are ordinary differential equations that are frequently used to describe deterministic chemical kinetics at the macroscopic scale. At the microscopic scale, the chemical kinetics is stochastic and can be captured by…
A rigorous quantum description of molecular dynamics with a particular emphasis on internal observables is developed accounting explicitly for kinetic couplings between nuclei and electrons. Rotational modes are treated in a genuinely…
Some useful kinematical relations for the absorption of a photon by a nucleus and its recoil are derived for the relativistic incident energies. These expressions provided for the relativistic kinematics of photoabsorption reactions, though…
The magnitude of the rate of chemical reactions also depends on the position in the gravitational field, where a chemical reaction is being carried out. At weaker gravitational field rate of reaction is greater than the rate of reaction at…
The nuclear interaction is responsible for keeping neutrons and protons joined in an atomic nucleus. Phenomenological nuclear potentials, fitted to experimental data, allow one to know about the nuclear behaviour with more or less success…
We examine the dependence of the physical quantities of the rotatory molecular motor, such as the rotation velocity and the proton translocation rate, on the chemical reaction rate using the model based only on diffusion process. A peculiar…