Handbook of Solvents - George Wypych - ChemTech - Ventech!

Table of contents iii
4.3 Polar solvation dynamics: Theory and simulations ...............132
ABRAHAM NITZAN
4.3.1 Introduction. ...................................132
4.3.2 Continuum dielectric theory of solvation dynamics ...............133
4.3.3 Linear response theory of solvation dynamics ..................136
4.3.4 Numerical simulations of solvation in simple polar solvents:
The simulation model ..............................138
4.3.5 Numerical simulations of solvation in simple polar solvents:
Results and discussion ..............................140
4.3.6 Solvation in complex solvents ..........................144
4.3.7 Conclusions. ...................................145
4.4 Methods for the measurement of solvent activity of polymer solutions .....146
CHRISTIAN WOHLFARTH
4.4.1 Introduction. ...................................146
4.4.2 Necessary thermodynamic equations. ......................149
4.4.3 Experimental methods, equipment and data reduction. .............154
4.4.3.1 Vapor-liquid equilibrium (VLE) measurements .................154
4.4.3.1.1 Experimental equipment and procedures for VLE-measurements ........155
4.4.3.1.2 Primary data reduction ..............................170
4.4.3.1.3 Comparison of experimental VLE-methods ...................175
4.4.3.2 Other measurement methods ...........................178
4.4.3.2.1 Membrane osmometry ..............................178
4.4.3.2.2 Light scattering ..................................181
4.4.3.2.3 X-ray scattering. .................................184
4.4.3.2.4 Neutron scattering ................................185
4.4.3.2.5 Ultracentrifuge ..................................186
4.4.3.2.6 Cryoscopy (freezing point depression of the solvent) ..............188
4.4.3.2.7 Liquid-liquid equilibrium (LLE) .........................189
4.4.3.2.8 Swelling equilibrium ...............................193
4.4.4 Thermodynamic models for the calculation of solvent activities of
polymer solutions. ................................195
4.4.4.1 Models for residual chemical potential and activity coefficient in
the liquid phase ..................................196
4.4.4.2 Fugacity coefficients from equations of state ..................207
4.4.4.3 Comparison and conclusions ...........................214
Appendix 4.4A ..................................223
5 SOLUBILITY OF SELECTED SYSTEMS AND INFLUENCE
OF SOLUTES ..................................243
5.1 Experimental methods of evaluation and calculation of solubility
parameters of polymers and solvents. Solubility parameters data ........243
VALERY YU. SENICHEV, VASILIY V. TERESHATOV
5.1.1 Experimental evaluation of solubility parameters of liquids ...........243
5.1.1.1 Direct methods of evaluation of the evaporation enthalpy ...........243
5.1.1.2 Indirect methods of evaluation of evaporation enthalpy .............244
5.1.1.3 Static and quasi-static methods of evaluation of pair pressure. .........245
5.1.1.4 Kinetic methods .................................245
5.1.2 Methods of experimental evaluation and calculation of solubility
parameters of polymers. .............................246
5.2 Prediction of solubility parameter ........................253
NOBUYUKI TANAKA
5.2.1 Solubility parameter of polymers ........................253
5.2.2 Glass transition in polymers ...........................254
5.2.2.1 Glass transition enthalpy .............................254
5.2.2.2 Cp jump at the glass transition ..........................256
5.2.3 Prediction from thermal transition enthalpies ..................258
5.3 Methods of calculation of solubility parameters of solvents and polymers ...261
VALERY YU. SENICHEV, VASILIY V. TERESHATOV