Comparative Analysis of the Temperature Dependence of Adiabatic Thermodynamic Coefficients of Liquid H2O, H2O2, and Ar
DOI:
https://doi.org/10.15407/ujpe70.2.99Keywords:
water, argon, hydrogen peroxide, adiabatic compressibility coefficient, sound speed, hydrogen bondsAbstract
Temperature dependences of the adiabatic thermodynamic coefficients of water, where the network of hydrogen bonds is formed under certain conditions, have been compared with the corresponding dependences for hydrogen peroxide, where hydrogen bonds do exist, but the network of hydrogen bonds does not, and for argon with no hydrogen bonds at all. In our opinion, specific temperature dependences of the indicated parameters for water are associated with the existence of a network of hydrogen bonds in water under certain conditions. This network is formed by two dynamic structures (the LWD and HDW phases) and is responsible for the hierarchy of anomalous water properties in a wide temperature interval. In addition, it has been shown that the network of hydrogen bonds substantially affects the behavior of the temperature dependence of the sound propagation speed related to the adiabatic coefficient of liquid compressibility.
References
1. L.G.M. Pettersson. A two-state picture of water and the funnel of life. In: Modern Problems of the Physics of Liquid Systems. PLMMP 2018. Edited by L. Bulavin, L. Xu (Springer, 2019), p. 3.
https://doi.org/10.1007/978-3-030-21755-6_1
2. M. F. Chaplin. Structure and properties of water in its various states. In: Encyclopedia of Water: Science, Technology, and Society. Edited by P.A. Maurice (Wiley, 2019), p. 1.
https://doi.org/10.1002/9781119300762.wsts0002
3. A. Oleinikova, L. Bulavin, V. Pipich. Critical anomaly of shear viscosity in a mixture with an ionic impurity. Chem. Phys. Lett. 278, 121 (1997).
https://doi.org/10.1016/S0009-2614(97)00945-7
4. V.F. Korolovych, A. Erwin, A. Stryutsky, H. Lee, W.T. Heller, V.V. Shevchenko, L.A. Bulavin, V.V. Tsukruk. Thermally responsive hyperbranched poly(ionic liquid)s. Assemb. Phase Transform. Macromol. 51, 4923 (2018).
https://doi.org/10.1021/acs.macromol.8b00845
5. I. Safarik, J. Prochazkova, M.A. Schroer, V.M. Garamus, P. Kopcansky; M. Timko, M. Rajnak, M. Karpets, O.I. Ivankov, M.V. Avdeev, V.I. Petrenko, L. Bulavin, K. Pospiskova. Cotton textile/iron oxide nanozyme composites with peroxidase-like activity: Preparation, characterization, and application. ACS Appl. Mater. Interfac. 13, 23627 (2021).
https://doi.org/10.1021/acsami.1c02154
6. L.A. Bulavin, V.F. Chekhun, A.A. Vasilkevich, V.I. Kovalchuk, V.T. Krotenko, V.I. Slisenko, V.P. Trindyak, K.A. Chalyy, S.D. Galyant. Neutron investigations of self-diffusion of water molecules in plasmatic membranes. J. Phys. Stud. 8, 334 (2004).
https://doi.org/10.30970/jps.08.334
7. K.A. Chalyy, L.A. Bulavin, V.F. Chekhun, A.V. Chalyi, Y.V. Tsekhmister, L.M. Chernenko. Fundamentals and medical applications of neutron and light spectroscopy of confined liquids. IFMBE Proc. 25, N 13, 197 (2009).
https://doi.org/10.1007/978-3-642-03895-2_57
8. J.R. Errington, P.G. Debenedetti. Relationship between structural order and the anomalies of liquid water. Nature 409, 318 (2001).
https://doi.org/10.1038/35053024
9. G. Venktaramana, E. Rajagopal, N. Manohara Murthy. Studies on the effect of chlorides of magnesium, calcium, strontium and barium on the temperature of the sound velocity maximum of water. J. Mol. Liq. 123, 68 (2006).
https://doi.org/10.1016/j.molliq.2005.02.008
10. L.N. Dzhavadov, V.V. Brazhkin, Y.D. Fomin, V.N. Ryzhov, E.N. Tsiok. Experimental study of water thermodynamics up to 1.2 GPa and 473 K. J. Chem. Phys. 152, 154501 (2020).
https://doi.org/10.1063/5.0002720
11. R.C. Dougherty, L.N. Howard. Equilibrium structural model of liquid water: Evidence from heat capacity, spectra, density, and other properties. J. Chem. Phys. 109, 7379 (1998).
https://doi.org/10.1063/1.477344
12. P. Gallo, K. Amann-Winkel, Ch.A. Angell, M.A. Anisimov, F. Caupin, Ch. Chakravarty, E. Lascaris, T. Loerting, A.Z. Panagiotopoulos, J. Russo, J.A. Sellberg, H.E. Stanley, H. Tanaka, C. Vega, L. Xu, L.G.M. Pettersson. Water: A tale of two liquids. Chem. Rev. 116, 7463 (2016).
https://doi.org/10.1021/acs.chemrev.5b00750
13. L.A. Bulavin , E.G. Rudnikov. Temperature and pressure effect on the thermodynamics coefficient (∂V/∂T)P of water. Ukr. J. Phys. 68, 122 (2023).
https://doi.org/10.15407/ujpe68.2.122
14. L.A. Bulavin, E.G. Rudnikov. The influence of the temperature and chemical potential on the thermodynamic coefficient − (∂V/∂P)T of water. Ukr. J. Phys. 68, 390 (2023).
https://doi.org/10.15407/ujpe68.6.390
15. V. Holten, M.A. Anisimov. Entropy-driven liquid-liquid separation in supercooled water. Sci. Rep. 2, 713 (2012).
https://doi.org/10.1038/srep00713
16. V. Holten, J.C. Palmer, P.H. Poole, P.G. Debenedetti, M.A. Anisimov. Two-state thermodynamics of the ST2 model for supercooled water. J. Chem. Phys. 140, 104502 (2014).
https://doi.org/10.1063/1.4867287
17. L.D. Landau, E.M. Lifshitz. Statistical Physics. Course of Theoretical Physics. Vol. 5 (Elsevier, 1980).
18. L.A. Bulavin, T.V. Lokotosh, N.P. Malomuzh. Role of the collective selfdiffusion in water and other liquids. J. Mol. Liq. 137, 1 (2008).
https://doi.org/10.1016/j.molliq.2007.05.003
19. P.A. Gigu'ere, Hung Chen. Hydrogen bonding in hydrogen peroxide and water. A Raman study of the liquid state. J. Raman Spectrosc. 15, 199 (1984).
https://doi.org/10.1002/jrs.1250150313
20. I.I. Novikov. Thermodynamic similarity and prediction of the properties and characteristics of substances and processes. J. Eng. Phys. Fundam. Thermodyn. 53, 1227 (1987).
https://doi.org/10.1007/BF00871080
21. H.W. Xiang. The Corresponding-States Principle and Its Practice. Thermodynamic, Transport and Surface Properties of Fluids (Elsevier Science, 2005) [ISBN: 0444520627].
https://doi.org/10.1016/B978-044452062-3/50005-1
22. A. Saul, W. Wagner. A fundamental equation for water covering the range from the melting line to 1273 K at pressures up to 25000 MPa. J. Phys. Chem. Ref. Data 18, 1537 (1989).
https://doi.org/10.1063/1.555836
23. W. Wagner, A. Pruss. The IAPWS formulation 1995 for the thermodynamic properties of ordinary water substance for general and scientific use. J. Phys. Chem. Ref. Data 31, 387 (2002).
https://doi.org/10.1063/1.1461829
24. O. Kunz, R. Klimeck, W. Wagner, M. Jaeschke. The GERG-2004 Wide-Range Equation of State for Natural Gases and Other Mixtures (Fortschritt-Berichte VDI, 2007).
25. O. Maass, P.G. Hiebert. The properties of pure hydrogen peroxide. V. Vapor pressure. J. Am. Chem. Soc. 46, 2693 (1924).
https://doi.org/10.1021/ja01677a012
26. A.C. Cuthbertson, G.L. Matheson, O. Maass. The freezing point and density of pure hydrogen peroxide. J. Am. Chem. Soc. 50, 1120 (1928).
https://doi.org/10.1021/ja01391a504
27. E.D. Nikitin, P.A. Pavlov, A.P. Popov, H.E. Nikitina. Critical properties of hydrogen peroxide determined from direct measurements. J. Chem. Thermodyn. 27, 945 (1995).
https://doi.org/10.1006/jcht.1995.0100
28. B.A. Younglove. Thermophysical properties of fluids. I. Argon, ethylene, parahydrogen, nitrogen, nitrogen trifluoride, and oxygen. J. Phys. Chem. Ref. Data 11, 1 (1982) [ISBN: 088318415X].
29. R.B. Stewart, R.T. Jacobsen. Thermodynamic properties of argon from the triple point to 1200 K at pressures to 1000 MPa. J. Phys. Chem. Ref. Data 18, 639 (1989).
https://doi.org/10.1063/1.555829
30. Ch. Tegeler, R. Span, W. Wagner. A new equation of state for argon covering the fluid region for temperatures from the melting line to 700 K at pressures up to 1000 MPa. J. Phys. Chem. Ref. Data 28, 779 (1999).
https://doi.org/10.1063/1.556037
31. C. Yaws. Thermophysical Properties of Chemicals and Hydrocarbons. Second Edition (Gulf Professional Publishing, 2014).
32. M.Z. Southard, D.W. Green. Perry's Chemical Engineers' Handbook (Mcgraw-Hill Education, 2019).
33. SRD69 Database, Thermophysical Properties of Fluid Systems, Peter Linstrom (2017), NIST Chemistry WebBook - SRD 69 (National Institute of Standards and Technology, 2017); accessed 2023-04-20, https://webbook.nist.gov/chemistry/fluid.
34. MiniRefprop Database, NIST. https://trc.nist.gov/refprop/MINIREF/MINIREF.HTM.
35. I.H. Bell, J. Wronski, S. Quoilin, V. Lemort. Pure and pseudo-pure fluid thermophysical property evaluation and the open-source thermophysical property library CoolProp. Ind. Eng. Chem. Res. 53, 2498 (2014).
https://doi.org/10.1021/ie4033999
36. Refprop Database, NIST. https://www.nist.gov/programs-projects/reference-fluid-thermodynamic-andtransport-properties-database-refprop.
37. ThermodataEngine Database, NIST. https://trc.nist.gov/tde.html.
38. WTT Database, NIST. https://wtt-pro.nist.gov/wtt-pro/.
39. MOL-Instincts Database, ChemEssen. https://www.molinstincts.com/(0001-iyf6; 0001-ixac).
40. ChemRTP Database, ChemEssen. http://www.chemrtp.com/ (XLYOFNOQVPJJNP-UHFFFAOYSA-N; MHAJPDPJQMAIIY-UHFFFAOYSA-N).
41. J. Teixeira, M.-C. Bellissent-Funel, S.-H. Chen, J. Dianoux. Experimental determination of the nature of diffusive motions of water molecules at low temperatures. Phys. Rev. A 31, 1913 (1985).
https://doi.org/10.1103/PhysRevA.31.1913
42. J. Teixeira, J.-M. Zanotti, M.-C. Bellissent-Funel, S.-H. Chen. Water in confined geometries. Physica B 234-236, 370 (1997).
https://doi.org/10.1016/S0921-4526(96)00991-X
43. J. Russo, H. Tanaka. Understanding water's anomalies with locally favoured structures. Nat. Commun. 5, 3556 (2014).
https://doi.org/10.1038/ncomms4556
44. A. Nilsson, L.G.M. Pettersson. The structural origin of anomalous properties of liquid water. Nat. Commun. 6 (1), 8998 (2015).
https://doi.org/10.1038/ncomms9998
45. R. Shi, H. Tanaka. Direct evidence in the scattering function for the coexistence of two types of local structures in liquid water. J. Am. Chem. Soc. 142, 2868 (2020).
https://doi.org/10.1021/jacs.9b11211
46. A. Kholmanskiy, N. Zaytseva. Physically adequate approximations for abnormal temperature dependences of water characteristics. J. Mol. Liq. 275, 741 (2019).
https://doi.org/10.1016/j.molliq.2018.11.059
47. A Kholmanskiy. Hydrogen bonds and dynamics of liquid water and alcohols. J. Mol. Liq. 325, 115237 (2021).
https://doi.org/10.1016/j.molliq.2020.115237
48. T. Seki, K.-Y. Chiang, C.-C. Yu, X. Yu, M. Okuno, J. Hunger, Y. Nagata, M. Bonn. The bending mode of water: A powerful probe for hydrogen bond structure of aqueous systems. J. Phys. Chem. Lett. 11, 8459 (2020).
https://doi.org/10.1021/acs.jpclett.0c01259
49. H. Zhao, Y. Tan, L. Zhang, R. Zhang, M. Shalaby, C. Zhang, Y. Zhao, X.-Ch. Zhang. Ultrafast hydrogen bond dynamics of liquid water revealed by terahertz-induced transient birefringence. Light Sci. Appl. 9, 136 (2020).
https://doi.org/10.1038/s41377-020-00370-z
50. J. Yang, R. Dettori, J.P.F. Nunes, N.H. List, E. Biasin, M. Centurion, Zh. Chen, A.A. Cordones, D.P. Deponte, T.F. Heinz, M.E. Kozina, K. Ledbetter, M.-Fu Lin, A.M. Lindenberg, M. Mo, A. Nilsson, X. Shen, T.J.A. Wolf, D. Donadio, K.J. Gaffney, T.J. Martinez, X. Wang. Direct
observation of ultrafast hydrogen bond strengthening in liquid water. Nature 596, 531 (2021).
https://doi.org/10.1038/s41586-021-03793-9
51. Z.A. Piskulich, D. Laage, W.H. Thompson. Activation energies and the extended jump model: How temperature affects reorientation and hydrogen-bond exchange dynamics in water. J. Chem. Phys. 153, 074110 (2020).
https://doi.org/10.1063/5.0020015
52. Y. Marcus. Volumes of aqueous hydrogen and hydroxide ions at 0 to 200 ∘C. J. Chem. Phys. 137, 154501 (2012).
https://doi.org/10.1063/1.4758071
53. N.P. Malomuzh, O. Khorolskyi. Structure and properties of the hydroxonium ion. Chem. Phys. Lett. 858, 141743 (2025).
https://doi.org/10.1016/j.cplett.2024.141743
54. L.A. Bulavin, E.G. Rudnikov, A.V. Chalyi. Thermodynamic anomalies of water near its singular temperature of 42 ∘C. J. Mol. Liq. 389, 122849 (2023).
https://doi.org/10.1016/j.molliq.2023.122849
55. L.A. Bulavin, A.I. Fisenko, N.P. Malomuzh. Surprising properties of the kinematic shear viscosity of water. Chem. Phys. Lett. 453, 183 (2008).
https://doi.org/10.1016/j.cplett.2008.01.028
56. M.M. Lazarenko, O.M. Alekseev, S.G. Nedilko, A.O. Sobchuk, V.I. Kovalchuk, S.V. Gryn, V.P. Scherbatskyi, S.Yu. Tkachev, D.A. Andrusenko, E.G. Rudnikov, A.V. Brytan, K.S. Yablochkova, E.A. Lysenkov, R.V. Dinzhos, S. Thomas, T. Rose Abraham. Impact of the alkali metals ions on the dielectric relaxation and phase transitions in water solutions of the hydroxypropylcellulose. In: Nanoelectronics, Nanooptics, Nanochemistry and Nanobiotechnology, and Their Applications. NANO 2022 (Springer, 2022), p. 37.
https://doi.org/10.1007/978-3-031-42708-4_3
57. L.A. Bulavin, N.P. Malomuzh, O.V. Khorolskyi. Temperature and concentration dependences of pH in aqueous NaCl solutions with dissolved atmospheric CO2. Ukr. J. Phys. 67, 833 (2022).
58. O. Khorolskyi, A. Kryvoruchko. Non-trivial behavior of the acid-base balance of pure water near the temperature of its dynamic phase transition. Ukr. J. Phys. 66, 972 (2021).
https://doi.org/10.15407/ujpe66.11.972
59. N.K. Alphonse, S.R. Dillon, R.C. Dougherty, D.K. Galligan, L.N. Howard. Direct Raman evidence for a weak continuous phase transition in liquid water. J. Phys. Chem. A 110, 7577 (2006).
https://doi.org/10.1021/jp062009e
60. Chun-Yang Yu, Zhong-Zhi Yang. A systemic investigation of hydrogen peroxide clusters (H2O2)n (n = 1-6) and liquid-state hydrogen peroxide: Based on atom-bond electronegativity equalization method fused into molecular mechanics and molecular dynamics. J. Phys. Chem. A 115, 2615 (2011).
https://doi.org/10.1021/jp111284t
61. C. Parida, S. Chowdhuri. Effects of hydrogen peroxide on the hydrogen bonding structure and dynamics of water and its influence on the aqueous solvation of insulin monomer. J. Phys. Chem. B 127, 10814 (2023).
https://doi.org/10.1021/acs.jpcb.3c05107
62. S.C. Abrahams, R.L. Collin, W.N. Lipscomb. The crystal structure of hydrogen peroxide. Acta Cryst. 4, 15 (1951).
https://doi.org/10.1107/S0365110X51000039
63. M. Seidl, A. Fayter, J.N. Stern, K. Amann-Winkel, M. Bauer, T. Loerting. High-performance dilatometry under extreme conditions. Proc. 6th Zwick Academia Day (2015) (Zwick GmbH & Co. KG, 2015).
Downloads
Published
How to Cite
Issue
Section
License
Copyright Agreement
License to Publish the Paper
Kyiv, Ukraine
The corresponding author and the co-authors (hereon referred to as the Author(s)) of the paper being submitted to the Ukrainian Journal of Physics (hereon referred to as the Paper) from one side and the Bogolyubov Institute for Theoretical Physics, National Academy of Sciences of Ukraine, represented by its Director (hereon referred to as the Publisher) from the other side have come to the following Agreement:
1. Subject of the Agreement.
The Author(s) grant(s) the Publisher the free non-exclusive right to use the Paper (of scientific, technical, or any other content) according to the terms and conditions defined by this Agreement.
2. The ways of using the Paper.
2.1. The Author(s) grant(s) the Publisher the right to use the Paper as follows.
2.1.1. To publish the Paper in the Ukrainian Journal of Physics (hereon referred to as the Journal) in original language and translated into English (the copy of the Paper approved by the Author(s) and the Publisher and accepted for publication is a constitutive part of this License Agreement).
2.1.2. To edit, adapt, and correct the Paper by approval of the Author(s).
2.1.3. To translate the Paper in the case when the Paper is written in a language different from that adopted in the Journal.
2.2. If the Author(s) has(ve) an intent to use the Paper in any other way, e.g., to publish the translated version of the Paper (except for the case defined by Section 2.1.3 of this Agreement), to post the full Paper or any its part on the web, to publish the Paper in any other editions, to include the Paper or any its part in other collections, anthologies, encyclopaedias, etc., the Author(s) should get a written permission from the Publisher.
3. License territory.
The Author(s) grant(s) the Publisher the right to use the Paper as regulated by sections 2.1.1–2.1.3 of this Agreement on the territory of Ukraine and to distribute the Paper as indispensable part of the Journal on the territory of Ukraine and other countries by means of subscription, sales, and free transfer to a third party.
4. Duration.
4.1. This Agreement is valid starting from the date of signature and acts for the entire period of the existence of the Journal.
5. Loyalty.
5.1. The Author(s) warrant(s) the Publisher that:
– he/she is the true author (co-author) of the Paper;
– copyright on the Paper was not transferred to any other party;
– the Paper has never been published before and will not be published in any other media before it is published by the Publisher (see also section 2.2);
– the Author(s) do(es) not violate any intellectual property right of other parties. If the Paper includes some materials of other parties, except for citations whose length is regulated by the scientific, informational, or critical character of the Paper, the use of such materials is in compliance with the regulations of the international law and the law of Ukraine.
6. Requisites and signatures of the Parties.
Publisher: Bogolyubov Institute for Theoretical Physics, National Academy of Sciences of Ukraine.
Address: Ukraine, Kyiv, Metrolohichna Str. 14-b.
Author: Electronic signature on behalf and with endorsement of all co-authors.