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General Introduction Miller, J. H., Jr.; Googe, J. M., Jr.; Hoskins, J. C., Combined Macular Hole and Cataract Surgery, Am. J. Ophthalmol. (1997) 123: 705 Miura, Y.; Akano, T.; Fukatsu, K.; Miyasaka, H.; Mizogushi, T.; Yagi, K.; Maeda, T.; Ikuta, Y.; Matsumoto, H. Stably Sustained Hydrogen Production by Biophotolysis in Natural Day/Night Cycle Energy Conversion and Management (1997) 38 suppl: 533 Molina, M. J., Rowland, R. S. Stratospheric Sink for Chlorofluoromethanes: Chlorine Atom Catalyzed Destruction of Ozone Nature (1974) 249: 810 Morgado, P.; McCabe, C.; Filipe, E. J. M. Modelling the Phase Behaviour and Excess Properties of Alkane + Perfluoroalkane Binary Mixtures With the SAFT–VR Approach Fluid Phase Equilibria (2005) 228–229: 389 Negoro, M. A.; Hamasaki, Y.; Kuta, I.; Makita, T.; Hirayama, K.; Suzuki, S. Carbon Dioxide Fixation by Microalgae Photosynthesis Using Actual Flue Gas Discharged from a Boiler Appl. Biochem. Biotechnol (1993) 39/40: 643 Osswald, T.; Schneider, S.; Wang, S.; Bannwarth, W. Stille Couplings in Supercritical CO2 Catalyzed with Perfluoro-tagged and un-tagged Pd Complexes Tetrahedron Letters (2001) 42: 2965 Pierotti, R. A., Scaled Particle Theory of Aqueous and non-aqueous Solutions, Chem. Rev. (1976) 76: 717 Piñeiro, M. M.; Bessières, D.; Gacio, J. M.; Saint-Guirons, H.; Legido, J. L. Determination of High-pressure Liquid Density for n-perfluorohexane and n-perfluorononane Fluid Phase Equilibria (2004) 220: 125 Pollack, G. L.; Kennan, R. P.; Himm, J. F.; Carr, P. W., Diffusion of Xenon in Liquid Alkanes – Temperature Dependence Measurements with a New Method-Stokes-Einstein and Hhard-sphere Theories, J. Chem. Phys. (1989) 90: 6569 Porter, T. R.; Xie, F.; Kricsfeld, A.; Kilzer, K., Noninvasive Identification of Acute Myocardial-ischemia and Reperfusion with Contrast Ultrasound using Intravenous Perfluoropropane Exposed Sonicated Dextrose Albumin, J. Am. Coll. Cardiol. (1995) 26: 33 Raveendran, P.; Wallen, S. L., Cooperative C-H Center Dot Center Dot Center Dot O Hydrogen Bonding in CO2-Lewis Base Complexes: Implications for Solvation in Supercritical CO2, J. Am. Chem. Soc. (2002) 124: 12590 Riess, J. G. Reassessment of Criteria for the Selection of Perfluorochemicals for Second- Generation Blood Substitutes: Analysis of Structure/Property Relationships. Artif Organs. (1984) 8: 44 Riess, J. G. Oxygen Carriers (“Blood Substitutes”): Raison d’Etre, Chemistry, and Some Physiology Chem. Rev. (2001) 101: 2797 - 19 -
General Introduction Rowinsky EK. Novel Radiation Sensitizers Targeting Tissue Hypoxia, Oncology (Huntingt) (1999) 13: 61 Sargent, J. W.; Seffl, R. J., Properties of Perfluorinated Liquid, Fed Proc. (1970) 29: 1699 Schlosser, M.; Michel, D., About the Physical Size of Fluorine Substituents, Tetrahedron (1996) 52: 99 Scott, R.L., The Anomalous Behaviour of Fluorocarbon Solutions, J. Phys. Chem. (1958) 62: 136 Shin, S.; Collazo, N.; Rice, S. A., A Molecular-dynamics Study of the Packing Structures in Monolayes of Partially Fluorinated Amphiphiles, J. Chem.Phys. (1992) 96: 1352 Serratrice, G.; Delpuech, J.J.; Diguet, R., Isothermal Compressibility of Fluorocarbons- Relationship with the Solubility of Gases, Nouv. J. Chim. (1982) 6: 489 Serratrice, G.; Stébé, M. J.; Delpuech, J. J., The Structure of Liquid Fluorocarbons – Oxygen and Nitric-oxide as Paramagnetic Probes, J. Chim. Phys. (1985) 82: 579 Smart, B. E., Fluorine Substituent Effects (on bioactivity), J. Fluorine Chemistry (2001) 109: 3 Song, W.; Rossky, P. J.; Maroncelli, M. Modeling Alkane-perfluoroalkane Interactions Using All-atom Potentials: Failure of the Usual Combining Rules J. Chem. Chem. Phys. (2003) 119: 1945 Stone, M. T.; Rocha, S. R. P.; Rossky, P. J.; Johnston, K. P. J., Molecular Differences Between Hydrocarbon and Fluorocarbon Surfactants at the CO2/Water Interface, J. Phys. Chem. B (2003) 107: 10185 Studer, A; Hadida, S; Ferritto, R.; Kim, S. Y.; Jeger, P; Wipf, P; Curran, D. P., Fluorous Synthesis: a Fluorous-phase Strategy for Improving Separation Efficiency in Organic Synthesis, Science (1997) 275: 823 Uhlig, H. H., The Solubilities of Gases and Surface Tension, J. Phys. Chem. (1937) 41: 1215 Vacek, V.; Hallewell, G.; Ilie, S.; Lindsay, S. Perfluorocarbons and Their Use in Cooling Systems for Semiconductor Particle Detectors Fluid Phase Equilibria (2000) 174: 191 Wallington, T. J.; Schneider, W. F.; Worsnop, D. R.; Nielsen, O. J.; Sehested, J. Debruyn, W. J.; Shorter, J. A., The Environmental Impacts of CFC Replacements – HFCs and HCFCs, Environ Sci. Technol (1994) 28: 320 Wasanasathian, A., Peng, C-A, Enhancement of Microalgal Growth by Using Perfluorocarbon as Oxygen Carrier, Artificial Cells, Blood Substitutes, & Immobilization Biotechnolog (2001) 29: 47 - 20 -
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: General Introduction Hildebrand, J.
Page 41 and 42: II. Part EXPERIMENTAL METHODS, RESU
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 89 and 90:
Experimental Methods, Results and D
Page 91 and 92:
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
Page 149 and 150:
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
Page 157 and 158:
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
Page 171 and 172:
III.4.4. VLE and LLE of Alkane and
Page 173 and 174:
Modeling number of perfluro-n-alkan
Page 175 and 176:
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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