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General Introduction Watkins, E. K.; Jorgensen, W. L., Perfluoroalkanes: Conformational Analysis and Liquid- State Properties from ab Initio and Monte Carlo Calculations, J. Phys. Chem. A (2001) 105: 4118 Wesseler, E. P.; Iltis, R.; Clark, L., Solubility of Oxygen in Highly Fluorinated Liquids, J. Fluorine Chem. (1977) 9:137 Wolfson, M. R.; Greenspan, J. S.; Shaffer, T. H. Liquid-Assisted Ventilation: an Alternative Respiratory Modality Pediatric Pulmonology (1998) 26: 42 Zhang, L.; Siepmann, J. I. Pressure Dependence of the Vapor-Liquid-Liquid Phase Behaviour in Ternary Mixtures Consisting of n-alkanes, n-perfluoroalkanes, and Carbon Dioxide J. Phys. Chem. B (2005) 109: 2911 - 21 -
II. Part EXPERIMENTAL METHODS, RESULTS AND DISCUSSION
Page 1 and 2: Ana Maria Antunes Dias Universidade
Page 3 and 4: o júri presidente Prof. Dr. Joaqui
Page 5 and 6: palavras-chave resumo perfluoroalca
Page 7 and 8: Contents Notation List of Tables Li
Page 9 and 10: Notation Abbreviations AAD EoS LCST
Page 11 and 12: List of Tables Table I.1 Average Bo
Page 13 and 14: Table III.6 Adjusted Binary Paramet
Page 15 and 16: Figure II.9 Comparison between corr
Page 17 and 18: Figure III.8 Temperature-density di
Page 19 and 20: Figure III.25 Vapor-phase mole frac
Page 21 and 22: I.1. Fluorine Properties General In
Page 23 and 24: Table I.2. Physicochemical Properti
Page 25 and 26: General Introduction order to compa
Page 27 and 28: General Introduction the numerous a
Page 29 and 30: General Introduction carbon dioxide
Page 31 and 32: General Introduction animals. That
Page 33 and 34: General Introduction Table I.3. Lit
Page 35 and 36: References General Introduction Ban
Page 37 and 38: General Introduction Hildebrand, J.
Page 39: General Introduction Rowinsky EK. N
Page 43 and 44: Experimental Methods, Results and D
Page 49 and 50: Table II.3. (continued) T K ρexp g
Page 51 and 52: ρ / g.cm-3 1.750 1.730 1.710 1.690
Page 55 and 56: I. 3. Vapour pressure I.3.1. Biblio
Page 57 and 58: I.3.2. Apparatus and Procedure Expe
Page 59 and 60: I.3.3. Experimental Results and Dis
Page 63 and 64: Table II.8. (continued) T K Pexp kP
Page 67 and 68: ΔH vap = TΔS vap 2⎛ d ln P ⎞
Page 69 and 70: I.4. Solubility at atmospheric pres
Page 79 and 80: x2 (T,P2) 7.0E-03 6.0E-03 5.0E-03 4
Page 81 and 82: L 2,1 0.70 0.60 0.50 0.40 0.30 285
Page 91 and 92:
Experimental Methods, Results and D
Page 93 and 94:
P / MPa 6 5 4 3 2 1 0 P / MPa 14 12
Page 95 and 96:
II.6. Liquid - Liquid Equilibrium I
Page 97 and 98:
Page 99 and 100:
Page 101 and 102:
0 τ β Δ1 2Δ1 [ 1+ B τ + B τ +
Page 103 and 104:
References Experimental Methods, Re
Page 105 and 106:
Page 107 and 108:
Page 109 and 110:
Page 111 and 112:
III.1. Introduction Modeling Most c
Page 113 and 114:
Modeling The pioneering work of Wer
Page 115 and 116:
III.2. Soft-SAFT Model Modeling A S
Page 117 and 118:
Modeling The equation of state is w
Page 119 and 120:
Chain Term Modeling Originally Wert
Page 121 and 122:
Modeling The model is easily extend
Page 123 and 124:
( ) ( ) ∑∑∑ 3 2 2 2 2 qq 32π
Page 125 and 126:
Modeling HRT is a promising theory,
Page 127 and 128:
( ρ) ρ , 0 ≤ ρ ( ρ) 2 Modelin
Page 129 and 130:
III.3. Application to Pure Compound
Page 131 and 132:
Modeling From the optimised paramet
Page 133 and 134:
T / K 400 350 300 250 200 150 100 5
Page 135 and 136:
ln Pvap 1.0E+01 1.0E+00 1.0E-01 1.0
Page 137 and 138:
Modeling Table III.2. Absolute Aver
Page 139 and 140:
Modeling The correlation coefficien
Page 141 and 142:
Pvap (MPa) 4.00 3.50 3.00 2.50 2.00
Page 143 and 144:
Modeling The mixture parameters a a
Page 145 and 146:
Modeling the assumptions made by th
Page 147 and 148:
Modeling between oxygen and perfluo
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xSolute 5.5E-03 5.0E-03 4.5E-03 4.0
Page 151 and 152:
Modeling previous work, dealing wit
Page 153 and 154:
Modeling These results confirm that
Page 155 and 156:
Modeling CO2 binary mixtures using
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Modeling average deviation (AAD) be
Page 159 and 160:
P / MPa 14 12 10 8 6 4 2 0 0 0.2 0.
Page 161 and 162:
Modeling Figures III.16, III.17 and
Page 163 and 164:
Modeling calculations from the orig
Page 165 and 166:
Table III.9. References for VLE exp
Page 167 and 168:
P / MPa 20 18 16 14 12 10 8 6 4 2 0
Page 169 and 170:
Modeling Finally, Figure III.24 pre
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III.4.4. VLE and LLE of Alkane and
Page 173 and 174:
Modeling number of perfluro-n-alkan
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y C6F14 1.0 0.8 0.6 0.4 0.2 0.0 0.0
Page 177 and 178:
P / MPa 0.08 0.07 0.06 0.05 0.04 0.
Page 179 and 180:
P / MPa 0.12 0.10 0.08 0.06 0.04 0.
Page 181 and 182:
Modeling approach based on the meth
Page 183 and 184:
Modeling Blas, F. J.; Vega, L. F.,
Page 185 and 186:
DIPPR, Thermophysical Properties Da
Page 187 and 188:
Modeling Hildebrand, J. H.; Fisher,
Page 189 and 190:
Modeling McCabe, C.; Jackson, SAFT-
Page 191 and 192:
Modeling Poling, B.; Prauznitz, J.;
Page 193 and 194:
Modeling Wertheim, M. S., Fluids wi
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