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Cited by 5 publications
(22 citation statements)
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“…Such increased range of fluctuations in results within the liquid domain has also been encountered in other Monte Carlo studies of the second-order thermodynamic derivative quantities (e.g. sound velocity) [27,28]. It should be noted that presence of adsorption of sound waves inside liquid may in addition challenge the validity of Eq.…”
Section: ∂P ∂mentioning
confidence: 56%
“…Such increased range of fluctuations in results within the liquid domain has also been encountered in other Monte Carlo studies of the second-order thermodynamic derivative quantities (e.g. sound velocity) [27,28]. It should be noted that presence of adsorption of sound waves inside liquid may in addition challenge the validity of Eq.…”
Section: ∂P ∂mentioning
confidence: 56%
“…A configurational-bias Monte Carlo approach was employed to obtain the values of an initial isobar, which, is required in order to implement the integration. Details of the Monte Carlo simulation technique applied can be found in our previous work (Fazelabdolabadi and Bahramian, 2009). We devised a distinct functional form for the sound velocity in terms of pressure along each isotherm in the form of Eq.…”
Section: Resultsmentioning
confidence: 99%
“…As a consequence, our methodology should entail simultaneous determination of the heat capacities as well as the isothermal compressibility, which are obtainable by analyzing the fluctuations in the simulation results in their corresponding statistical ensembles. 15 The fluctuation formula used to compute the ensemble average of a property (X) under isothermal-isochoric ensemble may be established analytically. 19 For a binary mixture, composed of N 1 (rigid) molecules of type 1 and N 2 molecules of type 2, this can be written as follows: with Here, Λ i is the de Broglie wavelength of the molecule i, ζ is the dimensionless degree of freedom, n is the number of degrees of freedom, V is the volume of the system, and H ˆ) U ext + U int + PV is the configurational enthalpy, with U ext and U int being the intermolecular and intramolecular potential energies, respectively.…”
Section: Theoretical Backgroundmentioning
confidence: 99%
“…The evaluation of sound velocity by our approach shall entail simultaneous determination of other thermodynamic secondorder derivative quantities (i.e., thermal expansivity, isothermal compressibility, heat capacity) for the conditions involved. 15 Quantitative prediction of such second-order derivative properties may be accomplished by applying the statistical fluctuation theory 16 to analyze the results obtained within a single simulation run, which would essentially keep the required computational time within reasonable length. This theory states that the derivative of a property X with respect to an intensive variable Y is related to the fluctuations of 〈XZ〉 -〈X〉〈Z〉 in the considered statistical ensemble, in which Z is the conjugate extensive variable of Y.…”
Section: Introductionmentioning
confidence: 99%
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