This document discusses several models for estimating physical properties of polymers and mixtures including: glass transition temperature correlations, melt transition temperature correlations, viscosity models, and Flory-Huggins activity coefficient models. For each model, it provides an overview, relevant equations, and how to specify the model in the software. It also provides references for each model.
This document discusses several models for estimating physical properties of polymers and mixtures including: glass transition temperature correlations, melt transition temperature correlations, viscosity models, and Flory-Huggins activity coefficient models. For each model, it provides an overview, relevant equations, and how to specify the model in the software. It also provides references for each model.
This document discusses several models for estimating physical properties of polymers and mixtures including: glass transition temperature correlations, melt transition temperature correlations, viscosity models, and Flory-Huggins activity coefficient models. For each model, it provides an overview, relevant equations, and how to specify the model in the software. It also provides references for each model.
Glass Transition Temperature Correlation...........................................................3•41
Glass Transition Correlation Parameters...........................................................3 •41 Melt Transition Temperature Correlation ............................................................3•42 Melt Transition Model Parameters .....................................................................3 •42 Van Krevelen Property Parameter Estimation.....................................................3•43 Specifying Physical Properties ...............................................................................3•44 Selecting Physical Property Methods..................................................................3•44 Creating Customized Physical Property Methods..............................................3•45 Entering Parameters for a Physical Property Model .........................................3•46 Entering a Physical Property Parameter Estimation Method ..........................3•47 Entering Molecular Structure for a Physical Property Estimation ..................3•48 Entering Data for Physical Properties Parameter Optimization ......................3•49 References................................................................................................................3 •50
Section 3.2 Tait Molar Volume Model
Summary of Applicability .......................................................................................3 •51 Tait Molar Volume Model .......................................................................................3 •52 Tait Model Parameters.........................................................................................3•53 Specifying the Tait Molar Volume Model ..............................................................3•53 References................................................................................................................3 •54
Section 3.3 Polymer Viscosity Models
Summary of Applicability .......................................................................................3 •55 Pure Polymer Modified Mark-Houwink Model .....................................................3•56 Modified Mark-Houwink Model Parameters ......................................................3•58 Van Krevelen Viscosity-Temperature Correlation.............................................3•59 Van Krevelen Correlation Parameters................................................................3•63 Concentrated Polymer Solution Viscosity Model ..................................................3•64 Quasi-Binary System ...........................................................................................3 •64 Properties of Pseudo-Components.......................................................................3•65 Solution Viscosity Model Parameters..................................................................3 •67 Polymer Solution Viscosity Estimation...............................................................3 •67 Polymer Solution Glass Transition Temperature ..............................................3•69 Polymer Viscosity At Mixture Glass Transition Temperature ..........................3•69 True Solvent Dilution Effect................................................................................3•70 Specifying the Viscosity Models .............................................................................3•70 References................................................................................................................3 •71
Section 3.4 Flory-Huggins Activity Coefficient Model
Summary of Applicability .......................................................................................3 •73 Flory-Huggins Model ..............................................................................................3•74 Flory-Huggins Model Parameters .......................................................................3•77 Specifying the Flory-Huggins Model......................................................................3•77 References................................................................................................................3 •78