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A density of states-based approach to determine temperature-dependent aggregation rates.

Authors :
Trugilho, L. F.
Auer, S.
Rizzi, L. G.
Source :
Journal of Chemical Physics; 8/7/2024, Vol. 161 Issue 5, p1-5, 5p
Publication Year :
2024

Abstract

Here, we establish an approach to determine temperature-dependent aggregation rates in terms of thermostatistical quantities, which can be obtained directly from flat-histogram and statistical temperature algorithms considering the density of states of the system. Our approach is validated through simulations of an Ising-like model with anisotropically interacting particles at temperatures close to its first-order phase transition. Quantitative comparisons between the numerically obtained forward and reverse rates to approximate analytical expressions corroborate its use as a model-independent approach. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
161
Issue :
5
Database :
Complementary Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
178879272
Full Text :
https://doi.org/10.1063/5.0221950