К статистической теории фазовых равновесий в 2-компонентных ассоциирующих блок-сополимерных и низкомолекулярных системах
Диссертация
Одной из важнейших проблем физики конденсированного состояния вещества является качественное и количественное понимание фазового поведения реальных веществ. В частности, многие реальные системы в окружающем мире демонстрируют разнообразное фазовое поведение. Поэтому необходимо уметь отвечать на вопрос, как фазовое поведение подобных систем зависит от численных значений микроскопических параметров… Читать ещё >
Содержание
- I. Фазовые равновесия в 2-компонентных низко-молекулярных смесях неальтернирующих частиц
- 1. Обзор литературных данных, используемых в диссертации
- 1. 1. Статистическая теория ассоциирующих систем. Теория Флори
- 1. 1. 1. Подход Флори
- 1. 1. 2. Метод функционала плотности
- 1. 1. Статистическая теория ассоциирующих систем. Теория Флори
Список литературы
- М.М. Coleman, J.E. Graf, Р.С. Painter, Specific Interactions and the Miscibility of Polymer Blends- Technomic Publishing Inc.: Lancaster, PA, 1991.
- А.Ю. Гросберг, A.P. Хохлов, Статистическая физика макромолекул, Москва, Наука (1989).
- П. де Жен, Идей скейлинга в физики полимеров. Мир. Москва (1982).
- P. J. Flory. Molecular size distribution in three dimensional polymers. Gelation. J. Am. Chem. Soc., 63 (11), 3083−3091, (1941).
- W. H. Stokmayer. Theory of molecular size distribution and gel formation in branched-chain polymers. J. Chem. Phys., 11(2), 45−55, (1943).
- И. Я. Ерухимович, Кандидатская диссертация, Москва, 1979.
- И. Я. Ерухимович, «Статистическая теория перехода золь-гель в слабых гелях"ЖЭТФ, 108(3), 1004−1030, (1995).
- М. V. Thamm and I. Ya. Erukhimovich Phase diagrams classification of the systems with thermoreversible alternating association. The Flory approach. J. Chem. Phys., 119(5), 2720−2731, (2003).
- I. Erukhimovich, M.V. Thamm, A.V. Ermoshkin, «Theory of Sol-Gel Transition in Thermoreversible Gels with due Regard for the Fundamental Role of Mesoscopic Cyclization Effects», Macromolecules, 34, 5653−5674 (2001).
- Lawrence R. Pratt. Randall A. LaViolette. Quasi-chemical Theories of Associated Liquids. Molec. phys. 94. 909. (1998).
- Lawrence R. Pratt. Randall A. LaViolette. Maria A. Gomez and Mary E. Gentile. Quasi-chemical Theory for the Statistical Thermodynamics of the Hard Sphere Fluid.(2001). xxx.lanl.gov, 104 025.
- D. Asthagiri, Lawrence R. Pratt. Quasi-chemical study of Be2+(aq) speciation. (2003). xxx.lanl.gov, 301 024.
- Lawrence R. Pratt and Susan B. Rempe Quasi-Chemical Theory and Implicit Solvent Models for Simulations.(1999). xxx.lanl.gov, 9 909 004.
- Erich A. Muller, Keith E. Gubbins. Molecular-Based Equations of State for Associating Fluids: A Review of SAFT and Related Approaches. Ind. Eng. Chem. Res., 40, 2193−2211, (2001).
- Zvelindovsky A. V. Nanostructured soft matter. Section: Igor Erukhimovich. The latest development of the weak segregation theory of microphase separation in block copolymers, Springer, 2007.
- F. Tanaka. Theory of thermoreversible gelation. Macromolecules, 22, 1988−1994, (1989).
- M.B. Тамм. Диссертационная работа. МГУ, Москва (2002).
- F. Tanaka, М. Ishiba, Theoretical study of the postgel regime in thermoreversible gelation. Macromolecules, 30(13), 3900−3909, (1997).
- M. В. Тамм. Дипломная работа. МГУ, Москва (1999).
- Igor Erukhimovich and Alexander V. Ermoshkin. Phase diagrams classification of thermoreversibly associating systems with due regard for mesoscopic cyclization effects. J. Chem. Phys., 116(1), 368−383, (2002).
- И. Я. Ерухимович, А. В. Ермошкин «Статистическая теормодинами-ка образования бесконечного кластера термообратимых химических связей"ЖЭТФ, 115(3), 979−990, (1999).
- A.N. Semenov, М. Rubinstein, «Thermoreversible gelation in solutions of associative polymers. I. Statics», Macromolecules, 31, 1373 (1998).
- Wertheim, M. S. Fluids with highly directional attractive forces: I. Statistical thermodynamics. J. Stat. Phys. 1984, 35, 19−35
- Wertheim, M. S. Fluids with highly directional attractive forces: II. Thermodynamic perturbation theory and integral equations. J. Stat. Phys. 1984, 35, 35.
- Wertheim, M. S. Fluids with highly directional attractive forces: III. Multiple attraction sites. J. Stat. Phys. 1986, 42, 459−477.
- Wertheim, M. S. Fluids with highly directional attractive forces: IV. Equilibrium polymerization. J. Stat. Phys. 1986, 42, 477.
- Sear, R. P.- Jackson, G. Thermodynamic perturbation theory for association into doubly bonded dimers. Mol. Phys. 1994, 82, 1033.
- Sear, R. P.- Jackson, G. Thermodynamic perturbation theory for association with bond cooperativity. J. Chem Phys. 1996, 105, 1113.
- T. Spyriouni, I. Economou. Evaluation of SAFT and PC-SAFT models for the description of homo- and co-polymer solution phase equilibria. Polymer, 2008, 46, 10 772−10 781.
- Ali Maghari, Marya Sadeghi. Prediction of sound velocity and heat capacities of n-alkanes from modified SAFT equation of state. Fluid phase equilibria, 2007, 252, 152−161.
- F. Tumakaka, J Gross, G. Sadowski. Thermodynamic modeling of complex systems using PC-SAFT. Fluid phase equilibria, 2005, 228−229, 89−98.
- P. Arce, M. Aznar. Computation and modeling of critical phenomena with the perturbed chain statistical associating fluid theory equation of state. The Journal of Supercitical Fluids. 2008, 43(3), 408−420
- I. С. Sanchez, С. G. Panayiotou. Statistical thermodynamics of associated polymer solutions. Macromolecules, 1991, 24, 6231−6237.
- I. C. Sanchez. Volume Fluctuation Thermodynamic of Polumer Solutions. Macromolecules, 1991, 24, 908−916.
- I. C. Sanchez, R. H. Lacombe. Statistical Thermodynamics of polymer solution, Macromolecules, 1978, 11, 1145−1156.
- Anne-Valerie G. Ruzzette and Anne M. Mayers. A simple free energy model for Weakly interacting polymer blends, Macromolecules, 2001, 34,1894−1907.
- M.L. Huggins. Soutions of long chain components, J. Chem. Phys., 9, 440, (1941).
- M.L. Huggins. Some properties of solutions of long chain compounds, J. Phys. Chem., 46, 151 (1942).
- Flory P.J., Orwoll R.A., Vrij, A.J., Statictical Thermodynamics of Chain Molecule Liquids. I An Equation of state for normal Paraffin Hydrocarbons J. Am. Chem. Soc. 1964, 86, 3507−3515.
- Flory P.J., Orwoll R.A., Vrij, A.J., Statictical Thermodynamics of Chain Molecule Liquids. II Liquid Mixtures of Normal Paraffin Hydrocarbons J. Am. Chem. Soc. 1964, 86, 3515−3520.
- Leonid Yelash. Development of equations of state for comlex fluids. Fortschr. Ber. VDI Reihe 3 № 745 Dusseldorf. 2002.
- Shimei Jiang, Astrid Gopfert, and Volker Abetz. Novel morphologies of block copolymer Blends via Hydrogen Bonding. Macromolecules 2003, 36, 6171−6177.
- Flory P.J., Statistical Thermodynamics of Liquid Mixtures, Journal of American Chemical Society. 1965, 87, 1833.
- Gerrit ten Brinke and Frank E Karasz. Lower Critical Solution Temperature Behaviour in Polymer Blends: Compressibility and Directional-Specific Interactions. Macromolecules, 1984, 17, 815−820.
- Isaac C. Sanchez and Junhan Cho. An analytical Free Energy and the temperature-pressure superposition principle for pure polymeric Liquids. Macromolecules, 1998, 31, 6650−6661.
- Ghonasgi, D.- Chapman, W. G. Competition between intermolecular and intramolecular association in flexible hard chain molecules. J. Chem. Phys. 1995, 102, 2585.
- Constantinos G. Panayiotou. Lattice -Fluid theory of polymer solutions. Macromolecules, 1987, 20, 861−871.
- I. C. Sanchez, G.R. Brannoch. Off Lattice van der Waals Equation of State for Polymer Liquids, Macromolecules, 1993, 26, 4970−4972.
- I. C. Sanchez and J. Cho, W.J. Chen. Universal response of polymers solvents and solutions to presure, Macromolecules, 1993, 26, 4970−4972.
- Isaac C. Sanchez, Anna C. Balazs, Generalization of lattice fluid model > for specific interactions, Macromolecules, 1989, 22, 2325−2331.
- P.D. Gujrati. Interplay between gelation and phase separation in tree polymers, and the calculation of macroscopic loop density in the postgel regime. Journal of chemical physics. 1999, 111, 8151−8164.
- P.D. Gujrati. Thermal and percolative transitions and the need for independent symmetry breaking in branched polymers on a Bethe lattice. Journal of chemical physics. 1993, 98, 1613−1634.
- P.D. Gujrati, Daniel Bowman. Interplay between gelation and phase separation in tree polymers, and the calculation of macroscopic loop density in the postgel regime. Journal of chemical physics. 1999, 111, 8151−8164.
- В.A. Veytsman, Are lattice models valid for fluids with hydrogen bonds? Journal of chemical physics. 1990, 94, 8499−8500.
- B.A. Veytsman, Thermodynamics of hydrogen-bonded fluids: Effects of Bond Cooperativity. Journal of chemical physics. 1993, 97, 7144−7146.
- C.A. Патлажан, И. Я. Ладыжинский. Диаграммы состояния бинарной смеси мономеров, образующих термообратимые А-В гели. ВМС серия А, 1997, 39, 1641.
- С.А. Патлажан. Диаграммы состояния полимерных растворов, образующих термообратимые гели. ВМС серия А, 1998, 40, 860.
- A. Coniglio, Н.Е. Stanley, W. Klein, Site-bond correlated percolation problem: a statistical mechanical model of polymer gelation. Phys. Rev. Lett., 42, 518−523 (1979).
- A.Coniglio, H.E. Stanley, W. Klein. Solvent effects on polymer gels: A statistical-mechanical model. Phys. Rev. B, 25, 6805−6821 (1982). '
- S.I. Kuchanov, S.V. Korolev, S.V. Panyukov, «Graphs in chemical physics of polymers», Adv. Chem. Phys., 72, 115 (1988).
- Lawrence R. Pratt, David Chandler. Theory of hydrophobic effect. Journal of Chemical Physics, 67(8), 3683−3704, (1977).
- Л. Д. Ландау, E. M. Лифшиц. Статистическая физика, ч.1, Наука, Москва (1976).
- Gerrit ten Brinke, Frank E. Karasz, Lower critical solution Behavior in Polymer Blends: compressibility and directional-specific interaction, 17, 815−820 (1984).
- E.E. Dormidontova, «Role of Competitive PEO-Water and Water-Water Hydrogen Bonding in Aqueous Solution PEO Behavior», Macromolecules, 35, 987−1001 (2002).
- Malcolm, G. N.- Rowlinson, J. S. The thermodynamic properties of aqueous solutions of polyethylene glycol, polypropylene glycol and dioxane. Trans. Faraday. Soc. 53, 921, (1957).
- Bailey, F. E.- Callard, R. W. Some properties of poly (ethylene oxide) 1 in aqueous solution. J. Appl. Polym. Sci. 1, 56−62, (1959).
- Saeki, S.- Kuwahara, N.- Nakata, M.- Kaneko, M. Upper and lower critical solution temperatures in poly (ethylene glycol) solutions. Polymer 17, 685−689, (1976).
- Bae, Y. C.- Lambert, S. M.- Soane, D. S.- Prausnitz, J. M. Cloud-point curves of polymer solutions from thermooptical measurements. Macromolecules 24, 4403,(1991).
- Дифференциальная геометрия. И. В. Велько, А. А. Бурдун, В. И. Ведерников, А. С. Феденко, БГУ, 1982.
- О. А. Платонова. Особенности системы лучей вблизи препятствия. Диссертация. МГУ. 1981.
- Е. Е. Ландис. Тангенциальные особенности. Диссертация. МГУ. 1983.
- В. И. Арнольд. А. Н. Варченко. С. М. Гусейн-Заде. Особенности дифференциальных отображений. МЦНМО. 2004. Москва.
- В. И. Арнольд. Теория Катастроф. УРСС. 2004. Москва.
- Б.А.Дубровин, С. П. Новиков, А. Т. Фоменко. Современная геометрия. Методы и приближения. УРСС. 1994. Москва.
- И. М. Лифщиц. Некоторые вопросы статистической теории биополимеров, ЖЭТФ, 55(6), 2408−2422, (1968).
- М. V. Belousov, М. V. Tamm, and I. Ya. Erukhimovich. The global phase behavior of the two-component systems with intracomponent association: Flory approach. THE JOURNAL OF CHEMICAL PHYSICS 128,114 510, 2008.
- V. I. Arnold, V. S. Afrajmovich, Yu. S. Il’yashenko, and L. P. Shil’nikov, Bifurcation Theory and Catastrophe Theory (Encyclopaedia of Mathematical Sciences), Springer, New York, 1999
- Prost, J.- de Gennes, P.-G. The Physics of Liquid Crystals (Clarendon Press, Oxford) 1974.
- Petschek, R. G.- Wiefling, К. M. Novel ferroelectric fluids. Phys. Rev. Lett. 59, 343, 1987,
- Halperin, A. Rod-coil copolymers: their aggregation behavior. Macromolecules 23, 2724, 1990.
- Tournilhac, F.- Blinov, L.M.- Simon, J.- Yablonsky, S.V. Ferroelectric liquid crystals from achiral molecules. Nature 359, 621, 1992.
- Jacobs, A. E., Goldner, G. Mukamel, D. Modulated structures in tilted chiral smectic films. Phys. Rev. A 45, 5783, 1992.
- Prost, J., Bruinsma, R. Tournilhac, F. J. Theory of longitudinal ferroelectric smectics. Phys. II France, 4, 169, 1994.
- Stupp, S.I.- LeBonheur, V.- Walker, K.- Li, L.S.- Huggins, K.E.- Kesef, M.- Amstutz, A. Supramolecular Materials: Self-Organized Nanostructures. Science, 276, 384−389, 1997.
- Goldacker, Т.- Abetz, V.- Stadler, R.- Erukhimovich, I.- Leibler, L. Non-centrosymmetric superlattices in block copolymer blends. Nature 1999, 398, 137−139.
- Abetz, V.- Goldacker, Т.- Formation of superlattices via blending of block copolymers. Macromol. Rapid Commun. 2000, 21, 16.
- Witten, Т.- Leibler, L.- Pincus, P.A. Stress relaxation in the lamellar copolymer mesophase. Macromolecules, 1990, 23 824.
- Leibler, L.- Gay, C.- Erukhimovich, I.Ya. Conditions for the existence of non-centrosymmetric copolymer lamellar systems. Europhys. Lett. 1999, 46, 549
- Wickham, R.A.- Shi, A.-C. Noncentrosymmetric Lamellar Phase in Blends of ABC Triblock and ac Diblock Copolymers. Macromolecules, 2001, 34, 6487.
- Alexander, S. J. Polymer adsorption on small spheres. A scaling approach. Phys. (Paris) 1977, 38, 977.92. de Gennes, P.-G.Conformations of Polymers Attached to an Interface. Macromolecules 1980, 13, 1069
- Семенов A.H. К теории микрофазового расслоения в расплавах блоксополимеров. Журнал экспериментальной и теоретической физики, 1985, № 1, 1242.
- Жулина Е. В., Прямицын В. А., Борисов О. В. Структура и конфо-риационные переходы в слоях привитых полимерных цепей. Новая теория. Высокомолекулярные соединения, серия А, 1989, 185−194.
- T.M.Birshtein, E.B.Zhulina, Yu.V.Lyatskaya. Theory of supermolecular structures of polydisperse block copolymers. I. Planar layers of grafted chains. Polymer 1990, 31, 2185.
- T.M.Birshtein, E.B.Zhulina. Theory of supermolecular structures of polydisperse block copolymers. II. Lamellar superstructuer consisting of two block copolymers. Polymer 1991, 32, 1299.
- E.B.Zhulina, Yu.V.Lyatskaya, T.M.Birshtein. Theory of supermolecular structures of polydisperse block copolymers. III. Polymer 1992, 33, 332.
- Yu.V.Lyatskaya, E.B.Zhulina, T.M.Birshtein. Theory of supermolecular structures of polydisperse block copolymers. IV. Polymer 1992, 33, 343.
- T.M.Birshtein, Yu.V.Lyatskaya, E.B.Zhulina. Theory of supermolecular structures of polydisperse block copolymers. V. Polymer 1992, 33, 2750.
- Yu.V.Lyatskaya, T.M.Birshtein. Triblock copolymers: the role of interfacial tension coefficients at two iterfaces. Polymer 36, 975, 1995.
- L.I.Klushin, T.M.Birshtein, A.A.Mercurieva. Microphase segregation in bridging polymeric brushes: Regular a, nd singular phase diagrams. Macromol. Theory Simul. 7, 483, 1998.
- T.M.Birshtein, A.A.Polotzkii, V.Abetz. Mixed supercrysfcallinc structures in mixtures of ABC-fcriblock- and AB (BC)-diblock copolymers. Lamellar and cylindical structures in bicomponent mixtures. Macromol. Theory Simul. 10, 7, 700−718, 2001.
- Semenov A.N., Phase equilibria in block copolymer-homopolymer mixtures. Macromolecules, 26, 2273, 1993.
- Likhtman. A.E.- Semenov. A.N., An advance in the theory of strongly segregated polymers. Europhys. Lett., 51, 307, 2000.
- S. Kumar, A.Z. Panagiotopoulos. Thermodynamic of reversibly associating polymer solutions. Phys. Rev. Lett. 82, 25, 5060, 1999.
- Leibler, L. Theory of Microphase Separation in Block Copolymers. Macromolecules 1980, 13, 1602.
- G. Fredrickson and E. Helfand, Fluctuation effects in the theory of microphase separation in block copolymers. J. Chem. Phys. 87, 697 1987.
- Smirnova, Y.G. Microphase Sepatation in two-lengt-scale multiblock copolymer melts. Ph.D. thesis. University of Groningen, The Netherlands, december 2006.
- Smirnova, Yu.- ten Brinke, G- Erukhimovich, I. Microphase separation in multiblock copolymer melts: Nonconventional morphologies and two-length-scale switching J. Chem. Phys. 2006, 124, 54 907.
- С.А.Тарасенко. Диссертационная работа. Макро- и Микрофазовое расслоение в растворах АВ полиблок-сополимеров, МГУ, Москва (2007).
- И. Я. Ерухимовпч, Симметрия гироида и фазовая диаграмма слабой кристаллизации. Письма в ЖЭТФ, 63, 459 1996.
- Ландау Л.Д. К теории фазовых переходов. ЖЭТФ, 1937, 7, 627.
- Ерухимович И.Я. Флуктуации и образование доменной структуры в гетерополимерах. Высокомолекулярные соединения, серия А, 1982, № 9, 1942−1949.
- Ерухимович И.Я. Влияние химического строения двухкомпонентных расплавов гетерополимеров на образование в них доменной структуры, Высокомолекулярные соединения, серия А, 1982, № 9 1950−1957.
- Добрынин А. В. Ерухимович И.Я. Влияние химического строения расплавов двухкомпонентных гетерополимеров на образование в них доменной структуры. Фазовые диаграммы звездных сополимеров. Высокомолекулярные соединения, серия Б, 1990, № 32 852−857.
- Добрынин А. В. Ерухимович И.Я. Теория слабой суперкристализа-ции расплавов двухкомпонентных сополимеров сложного химического строения. Флуктационные эффекты. Серия А, 1991, № 33 1100−1114.
- Smirnova, Yu.- ten Brinke, G- Erukhimovich, I. Non-conventional morphologies formation in melt of symmetric multiblock copolymers Polymer Science Series A 2005, 47, 430.
- M. Matsen and M. Schick, Stable and unstable phases of a diblock copolymer melt. Phys. Rev. Lett. 72, 2660, 1994.
- С. Бразовский. Фазовый переход изотропной системы в неоднородное состояние. ЖЭТФ. 68, 175, 1975
- М. Matsen and F. Bates, Unifying Weak- and Strong-Segregation Block Copolymer Theories. Macromolecules 29, 1091, 1996.
- Robert A. Wickham and An-Chang Shi Noncentrosymmetric Lamellar Phase in Blends of ABC Triblock and ac Diblock Copolymers. Macromolecules 34, 6487−6494, 2001.
- Erukhimovich, I.- Abetz, V.- Stadler, R. Microphase Separation in Ternary ABC Block Copolymers: Ordering Control in Molten Diblock AB Copolymers by Attaching a Short Strongly Interacting С Block. Macromolecules 1997, 30 (24), 7435.
- Abetz, V.- Stadler, R.- Leibler, L. Order-disorder-and order-order-transitions in AB and ABC block copolymers: description by a simple model. Polymer Bulletin 1996, 37, 135.
- Kudryavtsev Ya.V., Litmanovich A.D., Makeev A.G., Bogomolov S.V. Macro molecular reaction and interdiffusion in a compatible polymer blend, 2. The role of H-bonding. Macromol. Theory Simul, 1999, 8, 161.