Beilstein J. Nanotechnol.2021,12, 1093–1100, doi:10.3762/bjnano.12.81
principle of a minimum of free enthalpy. This means that one has to introduce additional criteria for a complete description of the system. The principle of maximum entropy is based on either the Boltzmann entropy or the Gibbsentropy of mixing. In the description of the thermodynamics of sufficiently large
discussions, for simplicity, instead of the entropy S, a reduced entropy S* = S/k is used. After applying Stirling’s equation, for large numbers of particles, the Boltzmann entropy may be rewritten as:
Setting ni/N = pi, one obtains the Gibbsentropy of mixing:
Equation 2 and Equation 3 demonstrate that, in
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Figure 1:
Flow chart of the algorithm to calculate the agglomeration of an ensemble in the direction of a max...
Beilstein J. Nanotechnol.2020,11, 854–857, doi:10.3762/bjnano.11.70
. The exact determination of the size distribution of the agglomerates also gives the maximum size of the agglomerates. These considerations lead to an improved understanding of ensembles of agglomerated nanoparticles.
Keywords: agglomeration; enthalpy; entropy; Gibbsentropy; nanoparticles; size
showed a maximum at i = 1 or i = Nmax. In both cases, the entropy values were identical. Looking at the equation for the Gibbsentropy (Equation 5) one realizes that the summands are independent on the index i. Therefore, one may write
For the following discussions, F(1) is attributed to f(1) = 1 and F(2
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Figure 1:
Course of the probability for different sizes of agglomerates. The calculations were performed for ...