NON-EXTENSIVE STUDY OF RIGID AND NON-RIGID ROTATORS

The isotropic rigid and non-rigid rotators in the framework of Tsallis statistics are studied in the high and low temperature limits. The generalized partition functions, internal energies and heat capacities are calculated. Classical results of the Boltzmann–Gibbs statistics have been recovered as non-extensivity parameter approaches to 1. It has also been observed that non-extensivity parameter q behaves like a scale parameter in the low temperature regime of the rigid rotator model.

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GENERALIZED PARTITION FUNCTIONS AND INTERPOLATING STATISTICS

Modern Physics Letters A ◽

10.1142/s0217732398000917 ◽

1998 ◽

Vol 13 (11) ◽

pp. 843-852 ◽

Cited By ~ 5

Author(s):

P. F. BORGES ◽

H. BOSCHI-FILHO ◽

C. FARINA

Keyword(s):

High Temperature ◽

Low Temperature ◽

Virial Coefficient ◽

Second Virial Coefficient ◽

Temperature Limit ◽

Partition Functions ◽

High Temperature Limit ◽

Full Temperature ◽

Generalized Partition ◽

Relativistic Particles

We show that the assumption of quasiperiodic boundary conditions (those that interpolate continuously periodic and antiperiodic conditions) in order to compute partition functions of relativistic particles in 2+1 space–time can be related with anyonic physics. In particular, in the low temperature limit, our result leads to the well-known second virial coefficient for anyons. Besides, we also obtain the high temperature limit as well as the full temperature dependence of this coefficient.

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Kinetics of the Toluene Reaction with OH Radical

Research ◽

10.34133/2019/5373785 ◽

2019 ◽

Vol 2019 ◽

pp. 1-19 ◽

Cited By ~ 5

Author(s):

Rui Ming Zhang ◽

Donald G. Truhlar ◽

Xuefei Xu

Keyword(s):

High Pressure ◽

Low Temperature ◽

Atmospheric Chemistry ◽

Temperature Regime ◽

Rate Constants ◽

Chemical Activation ◽

Reaction Rates ◽

State Theory ◽

Partition Functions ◽

Kinetics Of

We calculated the kinetics of chemical activation reactions of toluene with hydroxyl radical in the temperature range from 213 K to 2500 K and the pressure range from 10 Torr to the high-pressure limit by using multistructural variational transition state theory with the small-curvature tunneling approximation (MS-CVT/SCT) and using the system-specific quantum Rice-Ramsperger-Kassel method. The reactions of OH with toluene are important elementary steps in both combustion and atmospheric chemistry, and thus it is valuable to understand the rate constants both in the high-pressure, high-temperature regime and in the low-pressure, low-temperature regime. Under the experimental pressure conditions, the theoretically calculated total reaction rate constants agree well with the limited experimental data, including the negative temperature dependence at low temperature. We find that the effect of multistructural anharmonicity on the partition functions usually increases with temperature, and it can change the calculated reaction rates by factors as small as 0.2 and as large as 4.2. We also find a large effect of anharmonicity on the zero-point energies of the transition states for the abstraction reactions. We report that abstraction of H from methyl should not be neglected in atmospheric chemistry, even though the low-temperature results are dominated by addition. We calculated the product distribution, which is usually not accessible to experiments, as a function of temperature and pressure.

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