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The partition function or configuration integral, as used in probability theory, information theory and dynamical systems, is a generalization of the definition of a partition function in statistical mechanics. It is a special case of a normalizing constant in probability theory, for the Boltzmann distribution.
The grand canonical partition function applies to a grand canonical ensemble, in which the system can exchange both heat and particles with the environment, at fixed temperature, volume, and chemical potential. Other types of partition functions can be defined for different circumstances; see partition function (mathematics) for
A partition in which no part occurs more than once is called strict, or is said to be a partition into distinct parts. The function q(n) gives the number of these strict partitions of the given sum n. For example, q(3) = 2 because the partitions 3 and 1 + 2 are strict, while the third partition 1 + 1 + 1 of 3 has repeated parts.
Partition coefficients can be measured experimentally in various ways (by shake-flask, HPLC, etc.) or estimated by calculation based on a variety of methods (fragment-based, atom-based, etc.). If a substance is present as several chemical species in the partition system due to association or dissociation, each species is assigned its own K ow ...
In physics, statistical mechanics is a mathematical framework that applies statistical methods and probability theory to large assemblies of microscopic entities. Sometimes called statistical physics or statistical thermodynamics, its applications include many problems in the fields of physics, biology, [1] chemistry, neuroscience, [2] computer science, [3] [4] information theory [5] and ...
Vibrational partition function, partition function for the vibrational modes of a molecule; Partition function (quantum field theory), partition function for quantum path integrals; Partition function (mathematics), generalization of the statistical mechanics concept; Partition function (number theory), the number of possible partitions of an ...
In statistical mechanics, the translational partition function, is that part of the partition function resulting from the movement (translation) of the center of mass. For a single atom or molecule in a low pressure gas, neglecting the interactions of molecules , the canonical ensemble q T {\displaystyle q_{T}} can be approximated by: [ 1 ]
In general, there are two theoretical approaches to determining the statistical mechanical properties of materials. The first is the direct calculation of the overall partition function of the system, which directly yields the system free energy. The second approach, known as the Widom insertion method, instead derives from calculations ...