Related papers: Molecular Energy Relations From Chemical Kinetics
A simple model of the two-state ratchet type is proposed for molecular chemical engines that convert chemical free energy into mechanical work and vice versa. The engine works by catalyzing a chemical reaction and turning a rotor.…
Classical and quantum mechanics laws are rebuilt in the frame of new thermodynamics. Heat is the sum of kinetic energy, system work, and system potential of a system, while force is the heat gradients over distance. Hence, collision,…
We extend the energetic variational approach so it can be applied to a chemical reaction system with general mass action kinetics. Our approach starts with an energy-dissipation law. We show that the chemical equilibrium is determined by…
In living cells, molecular motors convert chemical energy into mechanical work. Its thermodynamic energy efficiency, i.e. the ratio of output mechanical work to input chemical energy, is usually high. However, using two-state models, we…
The rate equation for an arbitrary mth order growth or decay reaction can be expressed in terms of the q-exponential function, with q equal to m. The analysis suggests that a wide variety of reaction rate (kinetic) processes and models, in…
For binary mixtures of fluids without chemical reactions, but with components having different temperatures, the Hamilton principle of least action is able to produce the equation of motion for each component and a balance equation of the…
We interpret the discrepancy between semiempirical nuclear mass formulas and actual nuclear masses in terms of the residual interaction. We show that correlations exist among all binding energies and all separation energies throughout the…
The existence of stationary distributions in a multicomponent Boltzmann equation using a non-additive kinetic energy composition rule for binary collisions is discussed. It is found that detailed balance is not achieved when -- in contrast…
Both in atomic physics and in mesoscopic physics it is sometimes interesting to consider the energy time-dependence of a parametrically-driven chaotic system. We assume an Hamiltonian ${\cal H}(Q,P;x(t))$ where $x(t)=Vt$. The velocity $V$…
We numerically calculate the energy and momentum transfer rates due to Coulomb scattering between two fluids moving with a relative velocity. The results are fitted by simple functions. The fitting formulae are useful to simulate outflows…
For quantum systems with competing potentials, the conventional perturbation theory often yields an asymptotic series and the subsequent numerical outcome becomes uncertain. To tackle such kind of problems, we develop a general solution…
The tunneling Hamiltonian describes a particle transfer from one region to the other. While there is no particle storage in the tunneling region itself, it has associated certain amount of energy. We name the corresponding flux energy…
Over the last few decades, developments in the physical limits of computing and quantum computing have increasingly taught us that it can be helpful to think about physics itself in computational terms. For example, work over the last…
Molecular science is governed by the dynamics of electrons, atomic nuclei, and their interaction with electromagnetic fields. A reliable physicochemical understanding of these processes is crucial for the design and synthesis of chemicals…
The Colle and Salvetti approach [Theoret. Chim. Acta, 37, 329 (1975)] to the calculation of the correlation energy of a system is modified in order to explicitly include into the theory the kinetic contribution to the correlation energy.…
We compare chemotaxis, the migration of cells and higher animals in reaction to a chemical stimulus, and similar phenomena originating within gases from temperature differences. Then we explain two easy mathematical models for handling…
We study a Michaelis-Menten reaction for a single two-state enzyme molecule, whose transition rates between the two conformations are modulated by an harmonically oscillating external force. In particular, we obtain a range of optimal…
We present an intuitive and general analytical approximation estimating the energy of covalent single and double bonds between participating atoms in terms of their respective nuclear charges with just three parameters, $[{E_\text{AB}…
This paper studies a mathematical formalism of nonequilibrium thermodynamics for chemical reaction models with $N$ species, $M$ reactions, and general rate law. We establish a mathematical basis for J. W. Gibbs' macroscopic chemical…
The kinetics of carbon condensation, or carbon clustering, in detonation of carbon-rich high explosives is modeled by solving a system of rate equations for concentrations of carbon particles. Unlike previous efforts, the rate equations…