nach oben

Colloid and Polymer Science

Erschienen in:

20.04.2017 | Invited Article

Conformational behavior of polymer chains of different architectures in strongly endothermic solvent mixtures: specific solvation effects

Erschienen in: Colloid and Polymer Science | Ausgabe 8/2017

Einloggen

Aktivieren Sie unsere intelligente Suche, um passende Fachinhalte oder Patente zu finden.

search-config

KI-gestützte Suche

Aus

Abstract

Preferential solvation of polymer chains by the thermodynamically better component in mixed solvent is a general phenomenon which has been amply studied in systems of miscible solvent components. In strongly endothermic mixtures of partially miscible solvent components, it provokes transient contraction of polymer chains and can lead to cononsolvency, which consists in the fact that a mixture of two good solvents becomes a poor solvent. It has been studied for a few polymers and solvent mixtures, but so far, there is not a consensus concerning the principles of this behavior at the molecular level. We performed a series of coarse-grained dissipative particle dynamic simulations aimed at broadening the knowledge of preferential solvation in endothermic mixtures. The study shows that the cononsolvency can be partially explained by general thermodynamic arguments at coarse-grained the mean-field level, but the model ignoring specific interactions fails to describe all details correctly.

Vorheriger Artikel Scattering studies in self-organised diblock copolymer systems

Nächster Artikel Variable and low-toxic polyampholytes: complexation with biological membranes

Sie haben noch keine Lizenz? Dann Informieren Sie sich jetzt über unsere Produkte:

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

über 102.000 Bücher
über 537 Zeitschriften

aus folgenden Fachgebieten:

Automobil + Motoren
Bauwesen + Immobilien
Business IT + Informatik
Elektrotechnik + Elektronik
Energie + Nachhaltigkeit
Finance + Banking
Management + Führung
Marketing + Vertrieb
Maschinenbau + Werkstoffe
Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

Jetzt informieren

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

über 67.000 Bücher
über 390 Zeitschriften

aus folgenden Fachgebieten:

Automobil + Motoren
Bauwesen + Immobilien
Business IT + Informatik
Elektrotechnik + Elektronik
Energie + Nachhaltigkeit
Maschinenbau + Werkstoffe

Jetzt Wissensvorsprung sichern!

Jetzt informieren

Tuzar Z, Kratochvil P (1977) Extremely high refractive-index increments in polymer-mixed solvent systems. Macromolecules 10(5):1108–1110. doi:10.1021/ma60059a041 CrossRef

Kratochvíl P (1987) Light scattering from polymer solutions in mixed solvents. In: Kratochvíl P (ed) Classical light scattering from polymer solutions. Elsevier, Amsterdam-Oxford-New York-Tokyo

Chee CK, Hunt BJ, Rimmer S, Soutar I, Swanson L (2011) Time-resolved fluorescence anisotropy studies of the cononsolvency of poly(N-isopropyl acrylamide) in mixtures of methanol and water. Soft Matter 7(3):1176–1184. doi:10.1039/c0sm00836b CrossRef

Tanaka F, Koga T, Kojima H, Winnik FA (2009) Temperature- and tension-induced coil-globule transition of poly(N-isopropylacrylamide) chains in water and mixed solvent of water/methanol. Macromolecules 42(4):1321–1330. doi:10.1021/ma801982e CrossRef

Lin SY, Chen KS, Liang RC (1999) Thermal micro ATR/FT-IR spectroscopic system for quantitative study of the molecular structure of poly(N-isopropylacrylamide) in water. Polymer 40(10):2619–2624. doi:10.1016/s0032-3861(98)00512-6 CrossRef

Lin SY, Chen KS, Run-Chu L (1999) Drying methods affecting the particle sizes, phase transition, deswelling/reswelling processes and morphology of poly(N-isopropylacrylamide) microgel beads. Polymer 40(23):6307–6312. doi:10.1016/s0032-3861(98)00872-6 CrossRef

Chee CK, Rimmer S, Soutar I, Swanson L (1997) Time-resolved fluorescence anisotropy studies of the temperature-induced intramolecular conformational transition of poly(N-isopropylacrylamide) in dilute aqueous solution. Polymer 38(2):483–486. doi:10.1016/s0032-3861(96)00636-2 CrossRef

Wu C, Zhou SQ (1995) Thermodynamically stable globule state of a single poly(n-isopropylacrylamide) chain in water. Macromolecules 28(15):5388–5390. doi:10.1021/ma00119a036 CrossRef

Otake K, Inomata H, Konno M, Saito S (1990) Thermal-analysis of the volume phase-transition with n-isopropylacrylamide gels. Macromolecules 23(1):283–289. doi:10.1021/ma00203a049 CrossRef

10.

Kubota K, Fujishige S, Ando I (1990) Single-chain transition of poly(n-isopropylacrylamide) in water. J Phys Chem 94(12):5154–5158. doi:10.1021/j100375a070 CrossRef

11.

Winnik FM (1990) Phase-transition of aqueous poly-(n-isopropylacrylamide) solutions—a study by nonradiative energy-transfer. Polymer 31(11):2125–2134. doi:10.1016/0032-3861(90)90085-d CrossRef

12.

Winnik FM, Ringsdorf H, Venzmer J (1990) Methanol water as a co-nonsolvent system for poly(n-isopropylacrylamide). Macromolecules 23(8):2415–2416. doi:10.1021/ma00210a048 CrossRef

13.

Inomata H, Goto S, Saito S (1990) Phase-transition of n-substituted acrylamide gels. Macromolecules 23(22):4887–4888. doi:10.1021/ma00224a023 CrossRef

14.

Yamamoto I, Iwasaki K, Hirotsu S (1989) Light-scattering study of condensation of poly(n-isopropylacrylamide) chain. J Phys Soc Jpn 58(1):210–215. doi:10.1143/jpsj.58.210 CrossRef

15.

Prange MM, Hooper HH, Prausnitz JM (1989) Thermodynamics of aqueous systems containing hydrophilic polymers or gels. AICHE J 35(5):803–813. doi:10.1002/aic.690350511 CrossRef

16.

Cowie JMG, Mohsin MA, McEwen IJ (1987) Alcohol water cosolvent systems for poly(methyl methacrylate). Polymer 28(9):1569–1572. doi:10.1016/0032-3861(87)90360-0 CrossRef

17.

Wolf BA, Willms MM (1978) Measured and calculated solubility of polymers in mixed solvents: co-nonsolvency. Die Makromolekulare Chemie 179(9):2265–2277. doi:10.1002/macp.1978.021790914 CrossRef

18.

Quitzsch K, Strittma D, Geiseler G (1969) Thermodynamics of binary liquid mixtures with homologous formamides. 8. Binary systems normal-heptane (1)-dimethylformamide(2) and normal-heptane (1)-diethylformamide(2). Zeitschrift Fur Physikalische Chemie-Leipzig 240(1–2):107

19.

Bertrand GL, Millero FJ, Wu CH, Hepler LG (1966) Thermochemical investigations of water-ethanol and water-methanol solvent systems. I. Heats of mixing heats of solution and heats of ionization of water. J Phys Chem 70(3):699–705. doi:10.1021/j100875a015 CrossRef

20.

Aliev MM, Magee JW, Abdulagatov IM (2003) PVTx and isochoric heat capacity measurements for aqueous methanol solutions. Int J Thermophys 24(6):1551–1579. doi:10.1023/B:IJOT.0000004093.20692.dc CrossRef

21.

Franks F, Desnoyers JE (1985) Alcohol-water mixtures revisited. In: Felix F (ed) Water Science Reviews, vol 1. Cambridge University Press, UK, Cambridge

22.

Dixit S, Crain J, Poon WCK, Finney JL, Soper AK (2002) Molecular segregation observed in a concentrated alcohol-water solution. Nature 416(6883):829–832. doi:10.1038/416829a CrossRefPubMed

23.

Dougan L, Bates SP, Hargreaves R, Fox JP, Crain J, Finney JL, Reat V, Soper AK (2004) Methanol-water solutions: a bi-percolating liquid mixture. J Chem Phys 121(13):6456–6462. doi:10.1063/1.1789951 CrossRefPubMed

24.

Moucka F, Nezbeda I (2011) Water-methanol mixtures with non-Lorentz-Berthelot combining rules: a feasibility study. J Mol Liq 159(1):47–51. doi:10.1016/j.molliq.2010.05.005 CrossRef

25.

Gonzalez-Salgado D, Nezbeda I (2006) Excess properties of aqueous mixtures of methanol: simulation versus experiment. Fluid Phase Equilib 240(2):161–166. doi:10.1016/j.fluid.2005.12.007 CrossRef

26.

Mukherji D, Wagner M, Watson MD, Winzen S, de Oliveira TE, Marques CM, Kremer K (2016) Relating side chain organization of PNIPAm with its conformation in aqueous methanol. Soft Matter 12(38):7995–8003. doi:10.1039/C6SM01789D CrossRefPubMed

27.

de Oliveira TE, Netz PA, Mukherji D, Kremer K (2015) Why does high pressure destroy co-non-solvency of PNIPAm in aqueous methanol? Soft Matter 11(44):8599–8604. doi:10.1039/C5SM01772F CrossRefPubMed

28.

Mukherji D, Marques CM, Stuehn T, Kremer K (2015) Co-non-solvency: mean-field polymer theory does not describe polymer collapse transition in a mixture of two competing good solvents. Journal of Chemical Physics 142 (11). doi:10.1063/1.4914870 CrossRef

29.

Mukherji D, Kremer K (2013) Coil-globule-coil transition of PNIPAm in aqueous methanol: coupling all-atom simulations to semi-grand canonical coarse-grained reservoir. Macromolecules 46(22):9158–9163. doi:10.1021/ma401877c CrossRef

30.

Pica A, Graziano G (2016) An alternative explanation of the cononsolvency of poly(N-isopropylacrylamide) in water-methanol solutions. Phys Chem Chem Phys 18(36):25601–25608. doi:10.1039/c6cp04753j CrossRefPubMed

31.

Goates JR, Sullivan RJ (1958) Thermodynamic properties of the system water-p-dioxane. J Phys Chem 62(2):188–190CrossRef

32.

Malcolm GN, Rowlinson JS (1957) The thermodynamic properties of aqueous solutions of polyethylene glycol, polypropylene glycol and dioxane. Trans Faraday Soc 53(7):921–931. doi:10.1039/tf9575300921 CrossRef

33.

Takamuku T, Yamaguchi A, Tabata M, Nishi N, Yoshida K, Wakita H, Yamaguchi T (1999) Structure and dynamics of 1,4-dioxane-water binary solutions studied by X-ray diffraction, mass spectrometry, and NMR relaxation. J Mol Liq 83(1–3):163–177. doi:10.1016/s0167-7322(99)00083-5 CrossRef

34.

Lee Y, Jonas J (1973) Pressure and concentration effects on molecular-reorientation in water-dioxane mixtures. J Chem Phys 59(9):4845–4854. doi:10.1063/1.1680697 CrossRef

35.

Choppin GR, Violante MR (1972) Near-infrared studies of structure of water. 3. Mixed solvent systems. J Chem Phys 56(12):5890–589+. doi:10.1063/1.1677133 CrossRef

36.

Hindman JC, Svirmick A, Wood M (1968) Deuteron spin-lattice relaxation of D2O in organic solvents. J Phys Chem 72(12):4188–418+. doi:10.1021/j100858a042 CrossRef

37.

Garg SK, Smyth CP (1965) Microwave absorption and molecular structure in liquids. 66. Dielectric relaxation of water-dioxane system and structure of water. J Chem Phys 43(9):2959–295&. doi:10.1063/1.1697257 CrossRef

38.

Fratiello A, Douglass DC (1963) NMR shift and diffusion study of Dioxane-H2O and pyridine-H2O mixtures. J Mol Spectrosc 11(6):465–46&. doi:10.1016/0022-2852(63)90047-x CrossRef

39.

Sedov IA, Magsumov TI (2015) Thermodynamic functions of solvation of hydrocarbons, noble gases, and hard spheres in tetrahydrofuran-water mixtures. J Phys Chem B 119(28):8773–8780. doi:10.1021/acs.jpcb.5b04886 CrossRefPubMed

40.

Humpolickova J, Stepanek M, Prochazka K, Hof M (2005) Solvent relaxation study of pH-dependent hydration of poly(oxyethylene) shells in polystyrene-block-poly(2-vinylpyridine)-block-poly(oxyethylene) micelles in aqueous solutions. J Phys Chem A 109(48):10803–10812. doi:10.1021/jp053348v CrossRefPubMed

41.

Matejicek P, Humpolickova J, Prochazka K, Tuzar Z, Spirkova M, Hof M, Webber SE (2003) Hybrid block copolymer micelles with partly hydrophobically modified polyelectrolyte shells in polar and aqueous media: experimental study using fluorescence correlation spectroscopy, time-resolved fluorescence, light scattering, and atomic force microscopy. J Phys Chem B 107(32):8232–8240. doi:10.1021/jp022221s CrossRef

42.

Matejicek P, Uhlik F, Limpouchova Z, Prochazka K, Tuzar Z, Webber S (2002) Experimental study of hydrophobically modified amphiphilic block copolymer micelles using light scattering and nonradiative excitation energy transfer. Macromolecules 35(25):9487–9496. doi:10.1021/ma012074g CrossRef

43.

Podhajecka K, Stepanek M, Prochazka K, Brown W (2001) Hybrid polymeric micelles with hydrophobic cores and mixed polyelectrolyte/nonelectrolyte shells in aqueous media. 2. Studies of the shell behavior. Langmuir 17(14):4245–4250. doi:10.1021/la010247p CrossRef

44.

Stepanek M, Podhajecka K, Prochazka K, Teng Y, Webber SE (1999) Fluorometric and ultraviolet-visible absorption study of poly(methacrylic acid) shells of high-molar-mass block copolymer micelles. Langmuir 15(12):4185–4193. doi:10.1021/la981129d CrossRef

45.

Li Z, Dormidontova EE (2010) Kinetics of diblock copolymer micellization by dissipative particle dynamics. Macromolecules 43(7):3521–3531. doi:10.1021/ma902860j CrossRef

46.

Posel Z, Posocco P, Fermeglia M, Lisal M, Pricl S (2013) Modeling hierarchically structured nanoparticle/diblock copolymer systems. Soft Matter 9(10):2936–2946. doi:10.1039/c2sm27360h CrossRef

47.

Sirk TW, Slizoberg YR, Brennan JK, Lisal M, Andzelm JW (2012) An enhanced entangled polymer model for dissipative particle dynamics. Journal of Chemical Physics 136 (13). doi:10.1063/1.3698476 CrossRef

48.

Hoogerbrugge PJ, Koelman JMVA (1992) Simulating microscopic hydrodynamic phenomena with dissipative particle dynamics. Europhys Lett 19(3):155–160. doi:10.1209/0295-5075/19/3/001 CrossRef

49.

Groot RD, Warren PB (1997) Dissipative particle dynamics: bridging the gap between atomistic and mesoscopic simulation. J Chem Phys 107(11):4423–4435. doi:10.1063/1.474784 CrossRef

50.

Espanol P, Warren P (1995) Statistical-mechanics of dissipative particle dynamics. Europhys Lett 30(4):191–196. doi:10.1209/0295-5075/30/4/001 CrossRef

51.

Groot RD, Rabone KL (2001) Mesoscopic simulation of cell membrane damage, morphology change and rupture by nonionic surfactants. Biophys J 81(2):725–736CrossRef

52.

Rubinstein M, Colby RH (2003) Polymer physics, chapter 4: thermodynamics of mixing. Oxford University, New York, pp. 137–170

53.

Patterson K, Lisal M, Colina CM (2011) Adsorption behavior of model proteins on surfaces. Fluid Phase Equilib 302(1–2):48–54. doi:10.1016/j.fluid.2010.08.009 CrossRef

54.

Fuchslin RM, Fellermann H, Eriksson A, Ziock H-J (2009) Coarse graining and scaling in dissipative particle dynamics. Journal of Chemical Physics 130 (21). doi:10.1063/1.3143976 CrossRef

55.

Kacar G, Atilgan C, Ozen AS (2010) Mapping and reverse-mapping of the morphologies for a molecular understanding of the self-assembly of fluorinated block copolymers. J Phys Chem C 114(1):370–382. doi:10.1021/jp908324d CrossRef

56.

Kacar G, Peters EAJF, de With G (2013) A generalized method for parameterization of dissipative particle dynamics for variable bead volumes. Epl 102 (4). doi:10.1209/0295-5075/102/40009 CrossRef

57.

Groot RD (2004) Applications of dissipative particle dynamics. In: Novel Methods in Soft Matter Simulations. Springer, pp 5–38

58.

Frenkel D, Smit B (2001) Understanding molecular simulation: from algorithms to applications, vol 1. Academic press,

59.

Seaton MA, Anderson RL, Metz S, Smith W (2013) DL_MESO: highly scalable mesoscale simulations. Mol Simul 39(10):796–821. doi:10.1080/08927022.2013.772297 CrossRef

60.

Sindelka K, Limpouchova Z, Lisal M, Prochazka K (2014) Dissipative particle dynamics study of electrostatic self-assembly in aqueous mixtures of copolymers containing one neutral water-soluble block and one either positively or negatively charged polyelectrolyte block (vol 47, pg 6121, 2012). Macromolecules 47(20):7252–7252. doi:10.1021/ma501978w CrossRef

61.

Posel Z, Limpouchova Z, Sindelka K, Lisal M, Prochazka K (2014) Dissipative particle dynamics study of the pH-dependent behavior of poly(2-vinylpyridine)-block-poly(ethylene oxide) Diblock copolymer in aqueous buffers. Macromolecules 47(7):2503–2514. doi:10.1021/ma402293c CrossRef

62.

Sindelka K, Limpouchova Z, Lisal M, Prochazka K (2016) The electrostatic co-assembly in non-stoichiometric aqueous mixtures of copolymers composed of one neutral water-soluble and one polyelectrolyte (either positively or negatively charged) block: a dissipative particle dynamics study. Phys Chem Chem Phys 18(24):16137–16151. doi:10.1039/c6cp01047d CrossRefPubMed

63.

Lisal M, Limpouchova Z, Prochazka K (2016) The self-assembly of copolymers with one hydrophobic and one polyelectrolyte block in aqueous media. Dissipative particle dynamics study. Phys Chem Chem Phys. doi:10.1039/C6CP00341A CrossRefPubMed

64.

Procházka K (2016) Conformational and dynamic behavior of polymer and polyelectrolyte chains in dilute solutions. In: Fluorescence Studies of Polymer Containing Systems. Springer, pp 1–26

65.

Procházka K (2016) Fluorescence studies of polymer containing systems. Springer, BerlinCrossRef

66.

Li NK, Fuss WH, Yingling YG (2015) An implicit solvent ionic strength (ISIS) method to model polyelectrolyte systems with dissipative particle dynamics. Macromolecular Theory and Simulations 24(1):7–12. doi:10.1002/mats.201400043 CrossRef

Titel: Conformational behavior of polymer chains of different architectures in strongly endothermic solvent mixtures: specific solvation effects
Publikationsdatum: 20.04.2017
Erschienen in: Colloid and Polymer Science / Ausgabe 8/2017
Print ISSN: 0303-402X
Elektronische ISSN: 1435-1536
DOI: https://doi.org/10.1007/s00396-017-4083-z

Premium Partner

Marktübersichten

Die im Laufe eines Jahres in der „adhäsion“ veröffentlichten Marktübersichten helfen Anwendern verschiedenster Branchen, sich einen gezielten Überblick über Lieferantenangebote zu verschaffen.

Zur Marktübersicht

Springer Professional

Abstract

Bitte loggen Sie sich ein, um Zugang zu Ihrer Lizenz zu erhalten.

Sie haben noch keine Lizenz? Dann Informieren Sie sich jetzt über unsere Produkte:

Springer Professional "Wirtschaft+Technik"

Springer Professional "Technik"

Weitere Artikel der Ausgabe 8/2017

On the formation of inclusion complexes at the solid/liquid interface of anchored temperature-responsive PNIPAAM diblock copolymers with γ-cyclodextrin

Influence of molar mass, dispersity, and type and location of hydrophobic side chain moieties on the critical micellar concentration and stability of amphiphilic HPMA-based polymer drug carriers

Thermodynamic and kinetic analysis of phase separation of temperature-sensitive poly(vinyl methyl ether) in the presence of hydrophobic tert-butyl alcohol

Poly(alkylacrylic acid)s: solution behavior and self-assembly

Variable and low-toxic polyampholytes: complexation with biological membranes

Scattering studies in self-organised diblock copolymer systems

Premium Partner

Marktübersichten