The Equation of State (EOS) Fitting Process
Highlighted items are required for fitting an EOS. All other items are optional.
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Complete a TDE Evaluation (without EOS generation): This process normalizes closely related properties, generates required critically evaluated Tc and dc values, adds predicted property values (if needed), and filters bad data.
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Select an EOS for fitting. The Model Fitting Control Center opens automatically after selection.
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Fit the EOS to the available experimental and predicted property values.
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Review results: View deviation plots for experimental and predicted data.
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Save results for re-opening (Span-Wagner type only): Fit results can be saved for future re-opening to continue the fitting process or serve as initial equation parameters for a related compound.
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View calculated data: View data calculated with the EOS.
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Save evaluation: Includes EOS parameters and calculated values