Abstract
AbstractVibrational energy relaxation in liquids is investigated using the molecular‐dynamics method. A one‐dimensional ensemble of liquid bromine and of mixtures of bromine and argon is simulated with different compositions and temperatures. The vibrational motion of the bromine molecules is described by a harmonic oscillator, and the intermolecular interactions are given by Lennard‐Jones (12, 6) potentials with the parameters being derived from different experiments. The observed energy relaxation times of initially excited bromine molecules decrease at higher temperature, and are longer in mixtures of bromine and argon than in the pure liquid. The effective collision strength is also calculated, the results disagree with the strong collision assumption used in reaction rate theories. It is demonstrated that the main aspects of vibrational energy relaxation in liquids can be adequately studied with the aid of one‐dimensional models.
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