Model Fitting Control Center: Fit and Constraints

Fit starts (or continues) the fit of the selected EOS to the experimental and predicted property data.

Constraints are pseudo-properties used for calculation of the contributions to the error function of certain deviations from a well-formed EOS (i.e, one that ensures a correct functional shape for the T and p dependent properties.) They are used for fitting multi-parameter EOS that are not well-formed by definition through their mathematical structure

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• Purpose of TDE
• Critically Evaluated Properties
• Pure Component Properties
• How to do EVALUATIONS
• Evaluation for PURES
• Compound Selection (Pures)
• Add User Data (Pures)
• "Superstructure" Component Search
• The Main Screen Menus
• File Menu
• View Menu
• Action Menu
• Equation of State (EOS) Menu
• Product Design Menu
• Experiment Planning Menu
• Updates Menu
• The Main Screen Window
• Navigation Tree (Pures)
• Compound
• Property Name/Phase Formats
• Expt and Predicted Data
• Reaction Data
• Default Equations
• Property Consistency
• Evaluated Data
• Alternative Equations
• Equations of State
• Calculated with EOS
• Data Table Features
• Data Tables (General Info)
• Bibliographic Info (Data Source)
• Sort Data
• Select Data Set (or Single Value)
• Plot Data
• Flawed Data
• Plot Features
• Plot Legend (Colors)
• Plots: General Info (Pures)
• Right-Click Features (Pures)
• Single-Property Equations (Pures)
• Vapor Pressure
• Sublimation Pressure
• Crystal-Liquid boundary
• Density (sat liquid)
• Density (sat vapor)
• Density (liquid- 1 phase)
• Density (gas- 1 phase)
• Enthalpy of Vaporization
• Enthalpy of Sublimation
• Heat Capacity (Csat- crystal)
• Heat Capacity (Csat- liquid)
• Heat Capacity (Ideal Gas)
• Entropy & Enthalpy, derived (crystal)
• Entropy & Enthalpy, derived (liquid)
• Speed of Sound (liquid)
• Speed of Sound (gas)
• Refractive Index (liquid)
• Surface Tension
• Viscosity (sat liquid)
• Viscosity (gas)
• Thermal Conductivity (sat liquid)
• Thermal Conductivity (gas)
• EOS Fitting (Pures)
• EOS Fitting Process (Pures)
• EOS: Equations Supported (Pures)
• Span-Wagner
• PC-SAFT
• Modified Sanchez-Lacombe
• Peng-Robinson (Original)
• Peng-Robinson (Twu)
• Peng-Robinson (Mathias-Copeman)
• Peng-Robinson (SRW)
• REFPROP (Read Only)
• TDE Generated (Read Only)
• Uncertainties
• Uncertainties in Tables & Plots
• Uncertainty Definitions
• Output Files & Formats
• Eq Parameter Definitions
• Eq Parameter O/P
• TDE-SOURCE Data Archive
• Web Updates
• Database Version Control
• Show TDE-SOURCE Version
• Addition of User Data
• Structure Drawing
• Prediction Methods (Pures)
• Formation Reaction Properties
• Properties of Elements
• NIST/REFPROP Database in TDE
• ThermoML- IUPAC Standard
• References
• Glossary
• FAQ

The TRC Group is part of the Applied Chemicals and Materials Division in NIST's Material Measurement Laboratory
The National Institute of Standards and Technology is an agency of the U.S. Department of Commerce

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