Skip to main content
SpringerLink
Log in

An Overview on the Dynamics in Aqueous Mixtures of Lower Alcohols

  • Chapter
  • First Online:
Molecular Basics of Liquids and Liquid-Based Materials

Part of the book series: Physical Chemistry in Action ((PCIA))

  • 498 Accesses

Abstract

In this chapter, we present a comparative study of dynamics in three types of alcohol–water mixtures: methanol–water, ethanol–water, and 1-propanol–water. These mixtures are known for micro-heterogeneous structure, which is usually explained by the hydrophobic hydration effect. Our main focus here is how the dynamical quantities are influenced by micro-heterogeneity and consequently, how alcohol and water dynamics changes with respect to the alcohol concentration. We discuss this especially in relation to the size of the alcohol side chain. Our molecular dynamics results reveal important differences in the vibrational, rotational, and hydrogen bond dynamics of both alcohol and water molecules.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Log in via an institution
Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 149.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 199.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 199.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

References

  1. Soper AK, Finney JL (1993) Hydration of methanol in aqueous solution. Phys Rev Lett 71:4346–4349

    Article  CAS  PubMed  Google Scholar 

  2. Blaudez D, Mallamace F, Micali N, Trusso S, Vasi C (1994) Dynamical properties of water-methanol solutions: Brillouin and depolarized rayleigh scattering. Il Nuovo Cimento D 16(7):923–931

    Article  Google Scholar 

  3. Bowron DT, Finney JL, Soper AK (1998) Structural investigation of solute-solute interactions in aqueous solutions of tertiary butanol. J Phys Chem B 102:3551–3563

    Article  CAS  Google Scholar 

  4. Petong P, Pottel R, Kaatze U (2000) Water-ethanol mixtures at different compositions and temperatures. A dieletric relaxation study. J Phys Chem A 104:7420–7428

    Article  CAS  Google Scholar 

  5. 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

    Article  CAS  PubMed  Google Scholar 

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

    Article  CAS  PubMed  Google Scholar 

  7. Sato T, Buchner R (2004) Dielectric relaxation processes in ethanol/water mixtures. J Phys Chem A 108:5007–5015

    Article  CAS  Google Scholar 

  8. Sato T, Buchner R (2005) Cooperative and molecular dynamics of alcohol/water mixtures: the view of dielectric spectroscopy. J Mol Liq 117:23–31

    Article  CAS  Google Scholar 

  9. Skaf MS, Ladanyi BM (1996) Molecular dynamics simulation of solvation dynamics in methanol-water mixtures. J Phys Chem 100:18258–18268

    Article  CAS  Google Scholar 

  10. Laaksonen A, Kusalik PG, Svishchev IM (1997) Three-dimensional structure in water-methanol mixtures. J Phys Chem A 101:5910–5918

    Article  CAS  Google Scholar 

  11. Wensink EJW, Hoffmann AC, van Maaren PJ, van der Spoel D (2003) Dynamic properties of water/alcohol mixtures studied by computer simulation. J Chem Phys 119:7308–7317

    Article  CAS  Google Scholar 

  12. Noskov SY, Lamoureux G, Roux B (2005) Molecular dynamics study of hydration in ethanol-water mixtures using a polarizable force fieldmph. J Phys Chem B 109:6705–6713

    Article  CAS  PubMed  Google Scholar 

  13. Mijaković M, Kežić B, Zoranić L, Sokolić F, Asenbaum A, Pruner C, Wilhelm E, Perera A (2011) Ethanol-water mixtures: ultrasonics, brillouin scattering and molecular dynamics. J Mol Liq 164(1):66–73

    Article  Google Scholar 

  14. Bakó I, Pusztai L, Temleitner L (2017) Decreasing temperature enhances the formation of sixfold hydrogen bonded rings in water-rich water-methanol mixtures. Sci Rep 7(1):1073

    Article  PubMed  PubMed Central  Google Scholar 

  15. Choi S, Parameswaran S, Choi J-H (2020) Understanding alcohol aggregates and the water hydrogen bond network towards miscibility in alcohol solutions: graph theoretical analysis. Phys Chem Chem Phys 22:17181–17195

    Article  CAS  PubMed  Google Scholar 

  16. Frank HS, Evans MW (1945) Free volume and entropy in condensed systems III. Entropy in binary liquid mixtures; partial molal entropy in dilute solutions; structure and thermodynamics in aqueous electrolytes. J Chem Phys 13(11):507–532

    Article  CAS  Google Scholar 

  17. Lama RF, Lu BC-Y (1965) Excess thermodynamic properties of aqueous alcohol solutions. J Chem Eng Data 10:216–219

    Article  CAS  Google Scholar 

  18. Nakanishi K, Kato N, Maruyama M (1967) Excess and partial volumes of some alcohol-water and glycol-water solutions. J Phys Chem 71:814–818

    Article  CAS  Google Scholar 

  19. De Visser C, Perron G, Desnoyers JE (1977) The heat capacities, volumes, and expansibilities of tert-butyl alcohol–water mixtures from 6 to 65 ∘C. Can J Chem 55:856–862

    Article  Google Scholar 

  20. Sato T, Chiba A, Nozaki R (1999) Dynamical aspects of mixing schemes in ethanol-water mixtures in terms of the excess partial molar activation free energy, enthalpy, and entropy of the dielectric relaxation process. J Chem Phys 110(5):2508–2521

    Article  CAS  Google Scholar 

  21. Koga Y, Nishikawa K, Westh P (2004) “icebergs” or no “icebergs” in aqueous alcohols?: composition-dependent mixing schemes. J Phys Chem A 108:3873–3877

    Article  CAS  Google Scholar 

  22. Guo J-H, Luo Y, Augustsson A, Kashtanov S, Rubensson J-E, Shuh DK, Ågren H, Nordgren J (2003) Molecular structure of alcohol-water mixtures. Phys Rev Lett 91:157401

    Article  PubMed  Google Scholar 

  23. Venables DS, Schmuttenmaer CA (2000) Spectroscopy and dynamics of mixtures of water with acetone, acetonitrile, and methanol. J Chem Phys 113(24):11222–11236

    Article  CAS  Google Scholar 

  24. Nagasaka M, Mochizuki K, Leloup V, Kosugi N (2014) Local structures of methanol-water binary solutions studied by soft x-ray absorption spectroscopy. J Phys Chem B 118:4388–4396

    Article  CAS  PubMed  Google Scholar 

  25. Sato T, Chiba A, Nozaki R (2000) Composition-dependent dynamical structures of 1-propanol-water mixtures determined by dynamical dielectric properties. J Chem Phys 113(21):9748–9758

    Article  CAS  Google Scholar 

  26. Dzida M, Kaatze U (2015) Compressibility and dielectric relaxation of mixtures of water with monohydroxy alcohols. J Phys Chem B 119:12480–12489

    Article  CAS  PubMed  Google Scholar 

  27. Ladanyi BM, Skaf MS (1996) Wave vector-dependent dielectric relaxation of methanol-water mixtures. J Phys Chem 100:1368–1380

    Article  CAS  Google Scholar 

  28. Ferrario M, Haughney M, McDonald IR, Klein ML (1990) Molecular-dynamics simulation of aqueous mixtures: methanol, acetone, and ammonia. J Chem Phys 93(7):5156–5166

    Article  CAS  Google Scholar 

  29. Koh CA, Tanaka H, Walsh JM, Gubbins KE, Zollweg JA (1993) Thermodynamic and structural properties of methanol-water mixtures: experiment, theory, and molecular simulation. Fluid Ph Equilibria 83:51–58

    Article  CAS  Google Scholar 

  30. Bakó I, Megyes T, Bálint S, Grósz T, Chihaia V (2008) Water-methanol mixtures: topology of hydrogen bonded network. Phys Chem Chem Phys 10:5004–5011

    Article  PubMed  Google Scholar 

  31. Cardona J, Sweatman MB, Lue L (2018) Molecular dynamics investigation of the influence of the hydrogen bond networks in ethanol/water mixtures on dielectric spectra. J Phys Chem B 122:1505–1515

    Article  CAS  PubMed  Google Scholar 

  32. Sarkar S, Joarder RN (1993) Molecular clusters and correlations in liquid methanol at room temperature. J Chem Phys 99(3):2032–2039

    Article  CAS  Google Scholar 

  33. Sarkar S, Joarder RN (1994) Molecular clusters in liquid ethanol at room temperature. J Chem Phys 100(7):5118–5122

    Article  CAS  Google Scholar 

  34. Ludwig R (2005) The structure of liquid methanol. ChemPhysChem 6(7):1369–1375

    Article  CAS  PubMed  Google Scholar 

  35. Yoshida K, Kitajo A, Yamaguchi T (2006) 17O nmr relaxation study of dynamics of water molecules in aqueous mixtures of methanol, ethanol, and 1-propanol over a temperature range of 283–403 k. J Mol Liq 125(2):158–163. Complex Liquids

    Google Scholar 

  36. Burikov S, Dolenko T, Patsaeva S, Starokurov Y, Yuzhakov V (2010) Raman and ir spectroscopy research on hydrogen bonding in water-ethanol systems. Mol Phys 108:2427–2436

    Article  CAS  Google Scholar 

  37. Nishikawa K, Iijima T (1993) Small-angle x-ray scattering study of fluctuations in ethanol and water mixtures. J Phys Chem 97:10824–10828

    Article  CAS  Google Scholar 

  38. Nishi N, Takahashi S, Matsumoto M, Tanaka A, Muraya K, Takamuku T, Yamaguchi T (1995) Hydrogen-bonded cluster formation and hydrophobic solute association in aqueous solutions of ethanol. J Phys Chem 99:462–468

    Article  CAS  Google Scholar 

  39. Hayashi H, Nishikawa K, Iijima T (1990) Small-angle x-ray scattering study of fluctuations in 1-propanol-water and 2-propanol-water systems. J Phys Chem 94:8334–8338

    Article  CAS  Google Scholar 

  40. Takamuku T, Maruyama H, Watanabe K, Yamaguchi T (2004) Structure of 1-propanol-water mixtures investigated by large-angle x-ray scattering technique. J Solut Chem 33(6):641–660

    Article  CAS  Google Scholar 

  41. Takamuku T, Saisho K, Nozawa S, Yamaguchi T (2005) X-ray diffraction studies on methanol-water, ethanol-water, and 2-propanol-water mixtures at low temperatures. J Mol Liq 119(1):133–146

    Article  CAS  Google Scholar 

  42. Conde O, Teixeira J (1984) Depolarized light scattering of heavy water, and hydrogen bond dynamics. Mol Phys 53:951–959

    Article  CAS  Google Scholar 

  43. Benassi P, D’Arrigo G, Nardone M (1988) Brillouin light scattering in low temperature water-ethanol solutions. J Chem Phys 89:4469–4477

    Article  CAS  Google Scholar 

  44. Takagi K, Negishi K (1975) Ultrasonic and hypersonic studies of relaxations in ethanol-water mixtures. Jpn J Appl Phys 14:953–960

    Article  CAS  Google Scholar 

  45. Kono R, Yamaoka T (1978) Concentration fluctuation process in ethanol-water mixture. J Chem Phys 68(11):5206–5213

    Article  CAS  Google Scholar 

  46. Brai M, Kaatze U (1992) Ultrasonic and hypersonic relaxations of monohydric alcohol/water mixtures. J Phys Chem 96:8946–8955

    Article  CAS  Google Scholar 

  47. Ozawa A, Minamisawa A (1998) Concentration of ultrasonic-velocity invariant with respect to temperature observed in alcohol-water mixtures. Jpn J Appl Phys 37:2799–2800

    Article  CAS  Google Scholar 

  48. D’Arrigo G, Paparelli A (1988) Sound propagation in water-ethanol mixtures at low temperatures. I. Ultrasonic velocity. J Chem Phys 88:405–415

    Google Scholar 

  49. Pálinkás G, Hawlicka E, Heinzinger K (1991) Molecular dynamics simulations of water-methanol mixtures. Chem Phys 158(1):65–76

    Article  Google Scholar 

  50. Pálinkás G, Bakó I, Heinzinger K, Bopp P (1991) Molecular dynamics investigation of the inter- and intramolecular motions in liquid methanol and methanol-water mixtures. Mol Phys 73:897–915

    Article  Google Scholar 

  51. Morrone JA, Haslinger KE, Tuckerman ME (2006) Ab initio molecular dynamics simulation of the structure and proton transport dynamics of methanol-water solutions. J Phys Chem B 110:3712–3720

    Article  CAS  PubMed  Google Scholar 

  52. Yu H, Geerke DP, Liu H, van Gunsteren WF (2006) Molecular dynamics simulations of liquid methanol and methanol-water mixtures with polarizable models. J Comput Chem 27:1494–1504

    Article  CAS  PubMed  Google Scholar 

  53. Zhang L, Wang Q, Liu Y-C, Zhang L-Z (2006) On the mutual diffusion properties of ethanol-water mixtures. J Chem Phys 125:104502

    Article  PubMed  Google Scholar 

  54. Mijaković M, Polok KD, Kežić B, Sokolić F, Perera A, Zoranić L (2015) A comparison of force fields for ethanol-water mixtures. Mol Simulat 41:699–712

    Article  Google Scholar 

  55. Ghoufi A, Artzner F, Malfreyt P (2016) Physical properties and hydrogen-bonding network of water-ethanol mixtures from molecular dynamics simulations. J Phys Chem B 120:793–802

    Article  CAS  PubMed  Google Scholar 

  56. Méndez-Bermúdez JG, Dominguez H, Pusztai L, Guba S, Horváth B, Szalai I (2016) Composition and temperature dependence of the dielectric constant of 1-propanol/water mixtures: experiment and molecular dynamics simulations. J Mol Liq 219:354–358

    Article  Google Scholar 

  57. Méndez-Bermúdez JG, Dominguez H, Temleitner L, Pusztai L (2018) On the structure factors of aqueous mixtures of 1-propanol and 2-propanol: X-ray diffraction experiments and molecular dynamics simulations. Phys Status Solid B 255:1800215

    Article  Google Scholar 

  58. Požar M, Kerasidou A, Lovrinčević B, Zoranić L, Mijaković M, Primorac T, Sokolić F, Teboul V, Perera A (2016) The microscopic structure of cold aqueous methanol mixtures. J Chem Phys 145:144502

    Article  PubMed  Google Scholar 

  59. Požar M, Perera A (2017) Evolution of the micro-structure of aqueous alcohol mixtures with cooling: A computer simulation study. J Mol Liq 248:602–609

    Article  Google Scholar 

  60. Hazra MK, Bagchi B (2018) Collective excitations and ultrafast dipolar solvation dynamics in water-ethanol binary mixture. J Chem Phys 148:114506

    Article  PubMed  Google Scholar 

  61. Guàrdia E, Martí J, Padró J, Saiz L, Komolkin A (2002) Dynamics in hydrogen bonded liquids: water and alcohols. J Mol Liq 96–97:3–17

    Article  Google Scholar 

  62. Tan M-L, Cendagorta JR, Ichiye T (2013) Effects of microcomplexity on hydrophobic hydration in amphiphiles. J Am Chem Soc 135:4918–4921

    Article  CAS  PubMed  Google Scholar 

  63. Hansen J-P, McDonald I (2006) Theory of simple liquids, 3rd edn. Academic Press, Elsevier, Amsterdam

    Google Scholar 

  64. Boon J, Yip S (1991) Molecular hydrodynamics. Dover books on physics. Dover Publications, Mineola

    Google Scholar 

  65. Berne BJ, Pecora R (2006) Dynamic light scattering: with applications to chemistry, biology and physics. Dover Publications, Inc., Mineola

    Google Scholar 

  66. Ojha D, Chandra A (2019) Urea in water: structure, dynamics, and vibrational echo spectroscopy from first-principles simulations. J Phys Chem B 123:3325–3336

    Article  CAS  PubMed  Google Scholar 

  67. Luzar A, Chandler D (1994) Hydrogen bond networks. Ch. Application of the reactive flux formalism to study water hydrogen bond dynamics. Kluwer Academic, Dordrecht, pp 239–246

    Book  Google Scholar 

  68. Luzar A (2000) Resolving the hydrogen bond dynamics conundrum. J Chem Phys 113:10663–10675

    Article  CAS  Google Scholar 

  69. Jorgensen WL, Madura JD, Swenson CJ (1984) Optimized intermolecular potential functions for liquid hydrocarbons. J Am Chem Soc 106:6638–6646

    Article  CAS  Google Scholar 

  70. Starr FW, Nielsen JK, Stanley HE (1999) Fast and slow dynamics of hydrogen bonds in liquid water. Phys Rev Lett 82:2294–2297

    Article  CAS  Google Scholar 

  71. Haughney M, Ferrario M, McDonald IR (1987) Molecular-dynamics simulation of liquid methanol. J Phys Chem 91:4934–4940

    Article  CAS  Google Scholar 

  72. Luzar A, Chandler D (1993) Structure and hydrogen bond dynamics of water-dimethyl sulfoxide mixtures by computer simulations. J Chem Phys 98:8160–8173

    Article  CAS  Google Scholar 

  73. Luzar A, Chandler D (1996) Hydrogen-bond kinetics in liquid water. Nature 379(6560):55–57

    Article  CAS  Google Scholar 

  74. Sciortino F, Poole PH, Stanley HE, Havlin S (1990) Lifetime of the bond network and gel-like anomalies in supercooled water. Phys Rev Lett 64:1686–1689

    Article  CAS  PubMed  Google Scholar 

  75. Krausche T, Nadler W (1992) Statistical mechanics of hydrogen bond networks. Z Phys B 86(3):433–442

    Article  Google Scholar 

  76. Geiger A, Mausbach P, Schnitker J, Blumberg R, Stanley H (1984) Structure and dynamics of the hydrogen bond network in water by computer simulations. J Phys Colloq 45

    Google Scholar 

  77. Guevara-Carrion G, Vrabec J, Hasse H (2011) Prediction of self-diffusion coefficient and shear viscosity of water and its binary mixtures with methanol and ethanol by molecular simulation. J Chem Phys 134:074508

    Article  PubMed  Google Scholar 

  78. Rahman A (1964) Correlations in the motion of atoms in liquid argon. Phys Rev 136:A405–A411

    Article  Google Scholar 

  79. Martí J, Padró J, Guàrdia E (1995) Hydrogen bonding influence on the intermolecular vibrational spectra of liquid methanol. J Mol Liq 64(1):1–12

    Article  Google Scholar 

  80. Martí J, Padró JA, Guárdia E (1996) Molecular dynamics simulation of liquid water along the coexistence curve: hydrogen bonds and vibrational spectra. J Chem Phys 105:639–649

    Article  Google Scholar 

  81. Saiz L, Padró JA, Guàrdia E (1997) Structure and dynamics of liquid ethanol. J Phys Chem B 101:78–86

    Article  CAS  Google Scholar 

  82. Egashira K, Nishi N (1998) Low-frequency raman spectroscopy of ethanol-water binary solution: evidence for self-association of solute and solvent molecules. J Phys Chem B 102:4054–4057

    Article  CAS  Google Scholar 

  83. Vij J, Reid C, Evans M (1982) Submillimetre laser and interferometric spectroscopy of the alkyl alcohols. Chem Phys Lett 92(5):528–532

    Article  CAS  Google Scholar 

  84. Michniewicz N, Muszyński A, Wrzeszcz W, Czarnecki M, Golec B, Hawranek J, Mielke Z (2008) Vibrational spectra of liquid 1-propanol. J Mol Struct 887(1):180–186

    Article  CAS  Google Scholar 

  85. Kuttenberg C, Scheiber E, Gutmann V (1995) An infrared spectroscopic study on the influence of water on alcohols. Monatsh Chem Chem Mon 126(8):889–895

    Article  CAS  Google Scholar 

  86. Walrafen GE, Fisher MR, Hokmabadi MS, Yang W (1986) Temperature dependence of the low- and high-frequency raman scattering from liquid water. J Chem Phys 85:6970–6982

    Article  CAS  Google Scholar 

  87. Idrissi A, Sokolić F, Perera A (2000) A molecular dynamics study of the urea/water mixture. J Chem Phys 112:9479–9488

    Article  CAS  Google Scholar 

  88. Perera A, Zoranić L, Sokolić F, Mazighi R (2011) A comparative molecular dynamics study of water-methanol and acetone-methanol mixtures. J Mol Liq 159(1):52–59

    Article  CAS  Google Scholar 

  89. Skarmoutsos I, Guardia E (2009) Local structural effects and related dynamics in supercritical ethanol. 2. Hydrogen-bonding network and its effect on single reorientational dynamics. J Phys Chem B 113:8898–8910

    Article  CAS  PubMed  Google Scholar 

  90. Ludwig R, Zeidler MD, Farrar TC (1995) Molecular dynamics in lower alcohols. Z Phys Chem 189(1):19–27

    Article  CAS  Google Scholar 

  91. Ludwig R (1995) NMR relaxation studies in water-alcohol mixtures: the water-rich region. Chem Phys 195(1):329–337

    Article  CAS  Google Scholar 

  92. Jorgensen WL, Chandrasekhar J, Madura JD, Impey RW, Klein ML (1983) Comparison of simple potential functions for simulating liquid water. J Chem Phys 79:926–935

    Article  CAS  Google Scholar 

  93. Jukić I, Požar M, Lovrinčević B (2020) Comparative analysis of ethanol dynamics in aqueous and non-aqueous solutions. Phys Chem Chem Phys 22:23856–23868

    Article  PubMed  Google Scholar 

  94. Cerar J, Jamnik A, Pethes I, Temleitner L, Pusztai L, Tomšič M (2020) Structural, rheological and dynamic aspects of hydrogen-bonding molecular liquids: aqueous solutions of hydrotropic tert-butyl alcohol. J Colloid Interf Sci 560:730–742

    Article  CAS  Google Scholar 

  95. Provencal RA, Paul JB, Roth K, Chapo C, Casaes RN, Saykally RJ, Tschumper GS, Schaefer HF (1999) Infrared cavity ringdown spectroscopy of methanol clusters: single donor hydrogen bonding. J Chem Phys 110:4258–4267

    Article  CAS  Google Scholar 

  96. Mizuno K, Miyashita Y, Shindo Y, Ogawa H (1995) NMR and FT-IR studies of hydrogen bonds in ethanol-water mixtures. J Phys Chem 99:3225–3228

    Article  CAS  Google Scholar 

  97. Maes G, Smets J (1993) Hydrogen bond cooperativity: a quantitative study using matrix-isolation ft-ir spectroscopy. J Phys Chem 97:1818–1825

    Article  CAS  Google Scholar 

  98. Mó O, Yáñez M, Elguero J (1994) Cooperative effects in the cyclic trimer of methanol. An ab initio molecular orbital study. J Mol Struct 314(1):73–81

    Article  Google Scholar 

  99. Mandado M, Graña AM, Mosquera RA (2003) On the structures of the methanol trimer and their cooperative effects. Chem Phys Lett 381(1):22–29

    Article  CAS  Google Scholar 

  100. Dyczmons V (2004) Dimers of ethanol. J Phys Chem A 108:2080–2086

    Article  CAS  Google Scholar 

  101. Abraham M, Murtola T, Schulz R, Páll S, Smith J, Hess B, Lindahl E (2015) Gromacs: high performance molecular simulations through multi-level parallelism from laptops to supercomputers. SoftwareX 1–2:19–25

    Article  Google Scholar 

  102. Martínez J, Martínez L (2003) Packing optimization for automated generation of complex system’s initial configurations for molecular dynamics and docking. J Comput Chem 24:819

    Article  PubMed  Google Scholar 

  103. Berendsen HJC, Postma JPM, van Gunsteren WF, Hermans J (1981) Intermolecular forces. Ch. Interaction models for water in relation to protein hydration. Springer, Dordrecht, pp 331–342

    Book  Google Scholar 

  104. Berendsen HJC, Postma JPM, van Gunsteren WF, DiNola A, Haak JR (1984) Molecular dynamics with coupling to an external bath. J Chem Phys 81:3684–3690

    Article  CAS  Google Scholar 

  105. Parrinello M, Rahman A (1980) Crystal structure and pair potentials: a molecular-dynamics study. Phys Rev Lett 45:1196

    Article  CAS  Google Scholar 

  106. Parrinello M, Rahman A (1981) Polymorphic transitions in single crystals: a new molecular dynamics method. J Appl Phys 52:7182

    Article  CAS  Google Scholar 

Download references

Acknowledgements

This work has been supported by the Croatian Science Foundation under the project UIP-2017-05-1863 “Dynamics in micro-segregated systems.”

Author information

Authors and Affiliations

  1. University of Split, Faculty of Science, Split, Croatia

    Bernarda Lovrinčević, Ivo Jukić & Martina Požar

Authors
  1. Bernarda Lovrinčević
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Ivo Jukić
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Martina Požar
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Bernarda Lovrinčević .

Editor information

Editors and Affiliations

  1. Meijo University, Nagoya, Japan

    Katsura Nishiyama

  2. Nagoya University, Nagoya, Japan

    Tsuyoshi Yamaguchi

  3. Saga University, Saga, Japan

    Toshiyuki Takamuku

  4. Kyushu University, Fukuoka, Japan

    Norio Yoshida

Rights and permissions

Reprints and permissions

Copyright information

© 2021 The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd.

About this chapter

Check for updates. Verify currency and authenticity via CrossMark

Cite this chapter

Lovrinčević, B., Jukić, I., Požar, M. (2021). An Overview on the Dynamics in Aqueous Mixtures of Lower Alcohols. In: Nishiyama, K., Yamaguchi, T., Takamuku, T., Yoshida, N. (eds) Molecular Basics of Liquids and Liquid-Based Materials. Physical Chemistry in Action. Springer, Singapore. https://doi.org/10.1007/978-981-16-5395-7_6

Download citation

Publish with us

Policies and ethics

Search

Navigation