Editing Computation of phase equilibria
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# In these simulations we can compute for each density (at fixed temperature) the values of the pressure and the chemical potentials (for instance using the [[Widom test-particle method]]) | # In these simulations we can compute for each density (at fixed temperature) the values of the pressure and the chemical potentials (for instance using the [[Widom test-particle method]]) | ||
===== A quick 'first guess' method ===== | ===== A quick 'first guess' method ===== | ||
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Using the previously obtained results the following, somewhat unsophisticated, procedure can be used to obtain a first inspection of the possible phase equilibrium: | Using the previously obtained results the following, somewhat unsophisticated, procedure can be used to obtain a first inspection of the possible phase equilibrium: | ||
#Fit the simulation results for each branch by using appropriate functional forms: <math> \left. \mu_{v}(\rho) \right. ; p_v(\rho);\mu_l(\rho); p_l(\rho) </math> | #Fit the simulation results for each branch by using appropriate functional forms: <math> \left. \mu_{v}(\rho) \right. ; p_v(\rho);\mu_l(\rho); p_l(\rho) </math> |