Reaction Properties Evaluation:
Phase Specification
and
Property Review
Note:
All reaction properties (
enthalpy, entropy, Gibbs energy, thermodynamic equilibrium constant
) are calculated at the same time.
Purpose of TDE
Critically Evaluated Properties
Pure Component Properties
Binary Mixture Properties
Ternary Mixture Properties
Reaction Properties
Material Stream Properties
How to do EVALUATIONS
Evaluation for PURES
Compound Selection (Pures)
Add User Data (Pures)
"Superstructure" Component Search
Evaluation for BINARIES
Component Selection (Binary)
Component 1 Selection
Component 2 Selection
Add User Data (Binary)
Evaluation for TERNARIES
Component Selection (Ternary)
Add User Data (Ternary)
Evaluation for REACTION
Reaction Selection
Participant Selection
Formation Properties Evaluation
Evaluation for MATERIAL STREAM
Component Selection (Stream)
Apply/Fit AC Model to Sub-Systems
Add Composition
Add Property Calculation
Explore Calculation Results
Save Results
The Main Screen Menus
File Menu
View Menu
Action Menu
Equation of State (EOS) Menu
Mixture 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
Evaluated Enthalpy of Formation
Alternative Equations
Equations of State
Calculated with EOS
Navigation Tree (Mixtures)
Components of Binary Mixture
Expt and Predicted Data
VLE Data Summary View (Binary)
VLE Datasets & Consistency Tests
VLE Datasets
VLE Consistency Tests
VLE Data Summary View (Ternary)
LLE Data Summary View (Binary)
LLE Data Summary View (Ternary)
Expt Data (Display only)
Single Property Equations
Calc w/ Single-Property Eq's
Multi-Property Equations (Binaries)
Multi-Property Equations (Ternaries)
VLE Model/Data Comps (Ternary)
LLE Model/Data Comps (Ternary)
Calc w/ Multi-Property Eq's
Navigation Tree (Reactions)
Properties of Participants
Expt and Predicted Data
Consistency with Participant Data
Evaluated Reaction Data
Navigation Tree (Material Stream)
Components
Binary Sub-Systems (A + B)
Composition Number
Add Composition
Calculation Number
Add Calculation
Property Nomenclature (Mixtures)
Property Nomenclature: SLE
Property Nomenclature: LLE
Property Nomenclature: VLE
Data Table Features
Data Tables (General Info)
Bibliographic Info (Data Source)
Sort Data
Select Data Set (or Single Value)
Plot Data
VLE Data Summary (Binaries)
VLE Data Summary (Ternaries)
LLE Data Summary (Binaries)
LLE Data Summary (Ternaries)
Flawed Data
Plot Features
Plot Legend (Colors)
Plots: General Info (Pures)
Right-Click Features (Pures)
Plots: General Info (Binary)
Right Click Features: (Binary)
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)
Single-Property Equations (Binaries)
Single-Property Equations (Ternaries)
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)
Activity Coeff. Model Fitting (Mixtures)
AC Model Fitting (Binaries)
Model Fitting Control Center
Model Configuration Form
Activity Coeff. Models (Binaries)
UNIFAC Prediction (Original)
UNIFAC Prediction (NIST-KT)
UNIFAC Prediction (NIST-Modified)
NIST-COSMO-SAC Prediction
NRTL
Redlich-Kister
UNIQUAC
Van Laar
Wilson
Activity Coeff. Model Calcs. (Ternaries)
Gas-Phase Models (Mixtures)
Special Displays: VLE-LLE-SLE
VLE Consistency Tests (Binary)
VLE Isotherm Plot (Binary)
VLE Isobar Plot (Binary)
VLE Plot for Peng-Robinson EOS
VLE Isopleth Plot for P-R EOS
Azeotropic Data (Binary)
LLE Diagram (Binary)
SLE Diagram (Binary)
LLE Diagram (Ternary)
VLE Gas Composition (Ternary)
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
Product Design
Pure Compound
Solvent for Solid
Specify Solute
Enter Temperature
Add Solvent Efficiency
Add Solvent Property
Specify Compound Class
Select Database
Select Model Basis
Search and Results
Explore Results
Save Results
Selective Solvent for Solid Mixture
Specify Solute & Contaminant
Enter Temperature
Add Solvent Efficiency
Add Solvent Property
Specify Compound Class
Select Database
Select Model Basis
Search and Results
Explore Results
Save Results
Solvent for Extraction
Specify Solute & Carrier
Enter Temperature
Add Solvent Efficiency
Add Solvent Property
Specify Compound Class
Select Database
Select Model Basis
Search and Results
Explore Results
Save Results
Experiment Planning
Evaluate Measurement (Pure)
Evaluate Measurement (Binary)
Recommend Measurements (Pure)
UNIFAC Extension
ThermoML- IUPAC Standard
References
Glossary
FAQ
TRC
.
.
GOV
ThermoData Engine (TDE103b v10.1) User's Guide
