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As the title suggests, also, how can one determine whether the chosen property evaluation method is appropriate? Is it by comparing the properties with those in the literature? If the properties simulated by the selected property method differ significantly from those in the literature, does it mean that this property method is not suitable? Is it necessary to switch to other property-based methods, or can the simulation results be made closer to those in the literature by modifying certain parameters? Thank you all so much~~
Choosing the right property method is the first step toward proper simulation. Generally, it involves searching through literature to find the most suitable method for determining physical properties. Another approach is to conduct experiments on one’s own to find the phase equilibrium and regression methods. Another approach is to have a large amount of production data, and then adjust some parameters to match the actual data.
Generally, it involves searching through literature to find the most suitable method for determining physical properties. It’s this step I don’t know how to handle – which literature should I look for? The literature at my disposal, such as Lan’s Chemistry and the Handbook of Basic Data on Petrochemicals, only provides information on the properties of pure substances; there is no data on mixtures, nor are there any binary interaction parameters.