Über das Dissoziationsgleichgewicht realer Gase

1966 ◽  
Vol 21 (3) ◽  
pp. 252-255
Author(s):  
H. Koppe ◽  
G. Spies
Keyword(s):  
Cross Sections ◽  
Bound States ◽  
Exact Expression ◽  
Mass Action ◽  
Quantum Mechanical ◽  
Law Of Mass Action ◽  
Vibrational States ◽  
Degree Of Dissociation ◽  
Atom Scattering ◽  
Collision Approximation

The quantum mechanical cluster expansion, when applied to the partition function of a gas consisting of atoms whose bound states are the rotational and vibrational states of diatomic molecules, provides an exact expression for the degree of dissociation. The approximation containing only the second cluster integral is shown to be identical with the law of mass action involving the binary collision approximation for the activity coefficient of the dissociated constituent. This coefficient can be calculated from the phase shifts and thus from the cross sections of the elastic atom-atom-scattering.

Rate Constants, Reactive Flux

2018 ◽  
Author(s):  
Niels Engholm Henriksen ◽  
Flemming Yssing Hansen
Keyword(s):  
Correlation Function ◽  
Rate Constant ◽  
Cross Sections ◽  
Time Correlation ◽  
Time Correlation Function ◽  
Exact Expression ◽  
Reaction Cross ◽  
Dividing Surface ◽  
Definition Of ◽  
Reactive Flux

This chapter discusses a direct approach to the calculation of the rate constant k(T) that bypasses the detailed state-to-state reaction cross-sections. The method is based on the calculation of the reactive flux across a dividing surface on the potential energy surface. Versions based on classical as well as quantum mechanics are described. The classical version and its relation to Wigner’s variational theorem and recrossings of the dividing surface is discussed. Neglecting recrossings, an approximate result based on the calculation of the classical one-way flux from reactants to products is considered. Recrossings can subsequently be included via a transmission coefficient. An alternative exact expression is formulated based on a canonical average of the flux time-correlation function. It concludes with the quantum mechanical definition of the flux operator and the derivation of a relation between the rate constant and a flux correlation function.

scholarly journals Genetic recombination as a generalised gradient flow

2021 ◽  
Author(s):  
Frederic Alberti
Keyword(s):  
Arbitrary Number ◽  
Genetic Recombination ◽  
Reaction Network ◽  
Gradient Flow ◽  
Mass Action ◽  
Gradient System ◽  
Gradient Structure ◽  
Law Of Mass Action ◽  
Reversible Chemical Reaction ◽  
Time Partitioning

AbstractIt is well known that the classical recombination equation for two parent individuals is equivalent to the law of mass action of a strongly reversible chemical reaction network, and can thus be reformulated as a generalised gradient system. Here, this is generalised to the case of an arbitrary number of parents. Furthermore, the gradient structure of the backward-time partitioning process is investigated.

Quantum mechanical integral cross sections and rate constants for the F+HD reactions

2000 ◽  
Vol 112 (22) ◽  
pp. 9802-9809 ◽  
Author(s):  
Dong H. Zhang ◽  
Soo-Y. Lee ◽  
Michael Baer
Keyword(s):  
Cross Sections ◽  
Rate Constants ◽  
Quantum Mechanical

Some comments on positron–atom scattering at intermediate energy

1982 ◽  
Vol 60 (4) ◽  
pp. 558-564 ◽  
Author(s):  
F. W. Byron Jr.
Keyword(s):  
Finite Number ◽  
Cross Sections ◽  
Infinite Number ◽  
Intermediate Energy ◽  
Total Cross Sections ◽  
Type Approximation ◽  
Atom Scattering ◽  
Target States

A brief survey of available theoretical techniques is given for positron–atom scattering. The distinction between methods involving a finite number of target states and those with an infinite number of target states is emphasized. The situation regarding total cross sections is summarized, and a new, non-perturbative, eikonal-type approximation, based on the work of Wallace, is introduced.

Quantum mechanical calculations of effective collision cross-sections for He-N2interaction

1991 ◽  
Vol 72 (6) ◽  
pp. 1347-1364 ◽  
Author(s):  
Frederick R.W. McCourt ◽  
Velisa Vesovic ◽  
William A. Wakeham ◽  
Alan S. Dickinson ◽  
Merih Mustafa
Keyword(s):  
Cross Sections ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations ◽  
Collision Cross Sections ◽  
Effective Collision

Reaction rate of n12C radiative capture at temperature from 0.01 to 10 T9

2021 ◽  
pp. 142-148
Author(s):  
S.B. Dubovichenko ◽  
◽  
N.A. Burkova ◽  
R.R. Shamitova ◽  
◽  
...  
Keyword(s):  
Cross Sections ◽  
Cluster Model ◽  
Bound States ◽  
Reaction Rate ◽  
Applied Research ◽  
Radiative Capture ◽  
Potential Cluster Model ◽  
Total Cross Sections ◽  
Forbidden States ◽  
Wide Resonance

Within the framework of a modified potential cluster model with forbidden states, radiation n12C capture at energies from 10-5 keV to 5 MeV is considered, taking into account a wide resonance at Ex = 8.2 MeV. It is shown that on the basis of potentials that are consistent with the energies of the bound states, it is possible to correctly transfer the available experimental data. Based on the obtained total cross sections, the n12C capture reaction rate was calculated. The results for reaction rate are approximated by simple expressions, which simplifies their use in applied research.

Sign in / Sign up

Export Citation Format

Share Document