Related papers: Reductionist approach to chemical rate constants u…
The exponential factor of Arrhenius satisfactorily quantifies the energetic restriction of chemical reactions but is still awaiting a rigorous basis. Assuming that the Arrhenius equation should be based on statistical mechanics and is…
Although first-order rate constants are basic ingredients of physical chemistry, biochemistry and systems modeling, their innermost nature is derived from complex physical chemistry mechanisms. The present study suggests that equivalent…
Thermally activated phenomena in physics and chemistry, such as conformational changes in biomolecules, liquid film rupture, or ferromagnetic field reversal, are often associated with exponentially long transition times described by…
As contrast to the Maxwellian distribution, equilibrium distribution of the second kind or turbulent equilibrium is shown to exist under tertiary molecular chaos hypothesis to replace the classical binary chaos by Boltzmann. It is expressed…
By the example of several typical thermally activated processes in atomic clusters, organic molecules, and nanostructures, it is shown that calculations of the corresponding pre-exponential factors in the Arrhenius law according to the…
In this short communication we address the problem of reducibility in a highly excited Lennard-Jones system. We show that the probability of emitting $n$ fragments can be described in terms of a single probability through the binomial…
This article discusses the relationship between emergence and reductionism from the perspective of a condensed matter physicist. Reductionism and emergence play an intertwined role in the everyday life of the physicist, yet we rarely stop…
The rates of chemical reactions are not absolute but their magnitude depends upon the relative speeds of the moving observers. This has been proved by unifying theories of chemical kinetics, which are transition state theory, collision…
Patterns are ubiquitous in nature, but how they form is often unclear. Turing developed a seminal theory to explain patterns based on reactions that counteract the equalizing tendency of diffusion. These reactions require continuous energy…
Reaction rate theory in solids is modified taking into account intrinsic localized modes or discrete breathers (DBs) that can appear in crystals with sufficient anharmonicity resulting in violation of Arrhenius law. Large amplitude…
We aim here to show that reductionism and emergence play a complementary role in understanding natural processes and in the dynamics of science explanation. In particular, we will show that the renormalization group - one of the most…
Different relativistic quantum mechanics approaches have recently been used to calculate properties of various systems, form factors in particular. It is known that predictions, which most often rely on a single-particle current…
A parameter method is introduced in order to estimate the relationship among the various variables of a system in equilibrium, where the potential energy functions are incompletely known or the quantum mechanical calculations very…
Exponential families form the backbone of modern statistics and machine learning, but textbooks seldom derive them from first principles in an accessible way. Although minimal sufficiency and the principle of maximum entropy, originating in…
In a series of essays, beginning with this article, we are going to develop a new formulation of micro-phenomena based on the principles of reality and causality. The new theory provides with us a new depiction of micro-phenomena assuming…
For some centuries, first order chemical rate constants were determined mainly by a linear logarithmic plot of reagent concentration terms against time where the initial concentration was required, which is experimentally often a…
I give a self-contained introduction to the resource theory approach to quantum thermodynamics. I will introduce in an elementary manner the technical machinery necessary to unpack and prove the core statements of the theory. The topics…
We consider a class of one-dimensional chains of weakly coupled many level systems. We present a theory which predicts energy diffusion within these chains for almost all initial states, if some concrete conditions on their Hamiltonians are…
We propose a simple phenomenological parameterization of quintessence with a time-varying equation of state. In particular, it accounts for the possibility of early dark energy. The quintessence potential can be reconstructed in terms of…
The rates or formation and concentration distributions of a dimer reaction showing hysteresis behavior are examined in an ab initio chemical reaction designed as elementary and where the hysteresis structure precludes the formation of…