Deviations from the linear mixture rule in nonequilibrium chemical kinetics

1984 ◽  
Vol 81 (2) ◽  
pp. 799-811 ◽  
Author(s):  
John E. Dove ◽  
Stephen Halperin ◽  
Susanne Raynor
Keyword(s):  
Chemical Kinetics ◽  
Mixture Rule ◽  
Linear Mixture Rule

Failure of linear mixture rule in vibrational relaxation in CO2–CF2Cl2 and CO2–C4H4S mixtures

1996 ◽  
Vol 104 (24) ◽  
pp. 10061-10062
Author(s):  
Amit Sircar ◽  
K. Lalita Sarkar ◽  
Y. V. Chalapati Rao
Keyword(s):  
Vibrational Relaxation ◽  
Mixture Rule ◽  
Linear Mixture Rule

On the interpretation of measured rotational and vibrational relaxation times. III. Failure of the mixture rule for non-dilute gases

1979 ◽  
Vol 57 (10) ◽  
pp. 1115-1121 ◽  
Author(s):  
Huw O. Pritchard ◽  
Nabil I. Labib ◽  
Arunachalam Lakshmi
Keyword(s):  
Normal Mode ◽  
Vibrational Relaxation ◽  
Transition Probabilities ◽  
Relaxation Times ◽  
Numerical Accuracy ◽  
Mixture Rule ◽  
Mode Method ◽  
High Dilutions ◽  
Linear Mixture Rule ◽  
Relaxation Rate Constant

The rotation–vibration relaxation of a mixture of a diatomic gas (approximately simulating hydrogen) with an inert gas is studied both by direct integration, and by an approximate linearised normal-mode method. It is shown that although the linearised normal-mode approximation is a powerful aid to understanding these processes, its numerical accuracy is limited to high dilutions (e.g. 1% of X2 in M) and to times shorter than the final relaxation time.Direct numerical integration of the relaxation equations for various mixture ratios shows that the plot of vibrational relaxation rate constant vs. mole fraction x is non-linear, and that the slope of this plot near x = 0 can be correlated with the rates of the R–R processes, not the V–V processes as is normally assumed. A brief discussion is presented of the conditions under which the linear mixture rule for relaxation is rigorously obeyed: as is the case for chemical reaction, these conditions are impossibly stringent.An appendix presents a comparison of the transition probabilities used in this series of papers with those recently obtained by Tarr and Rabitz for the relaxation of hydrogen in argon.

Thermal explosions and the linear mixture rule

1988 ◽  
Vol 84 (1) ◽  
pp. 35 ◽  
Author(s):  
Peter Q. E. Clothier ◽  
John L. Collister ◽  
Marsha T. J. Glionna ◽  
Huw O. Pritchard
Keyword(s):  
Mixture Rule ◽  
Linear Mixture Rule ◽  
Thermal Explosions

Refinement of state-resolved models for chemical kinetics using the data of trajectory calculations

2018 ◽  
Vol 19 (3) ◽  
pp. 1-14 ◽  
Author(s):  
Elena V. Kustova ◽  
◽  
Aleksei S. Savelev ◽  
Anastasia A. Lukasheva ◽  
◽  
...  
Keyword(s):  
Chemical Kinetics ◽  
Trajectory Calculations
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