Interactions in Atomic and Ionic Liquids

Jean-Louis Bretonnet

doi:doi:10.11648/j.am.20200904.12

| Peer-Reviewed

Interactions in Atomic and Ionic Liquids

Jean-Louis Bretonnet

Published in Advances in Materials (Volume 9, Issue 4)

Received: 3 February 2020 Accepted: 9 July 2020 Published: 23 November 2020

Views: Downloads:

Download PDF

Share This Article

Twitter
Linked In
Facebook

Abstract

This review seeks to describe, from first principles, the nature of the interaction forces in atomic and ionic liquids. The atoms and molecules made up of dipoles and multipoles interact with van der Waals forces, while the ionic systems are viewed as pseudoions interacting through effective forces depending on the electronic structure and the physical ionic arrangement. The interplay between these two aspects of materials is quite complex and forms the main subject of this review. As it will be shown, the two-component system of interacting electrons and ions can be reduced, in second order perturbation theory, to an effective one-component system made up of pseudoions acting under the influence of two-body, central, screened potentials. These potentials result from a weak interaction between the electrons and the ions, deduced from the pseudopotential theory. Once the interatomic forces are known, the atomic structure and the electronic transport properties can be determined by methods of classical mechanics and quantum mechanics. Besides, a large volume-dependent term in the free energy, independent of the ionic positions, which distinguishes the conducting liquids from the simple isolator liquids like argon, is indispensable for explaining the thermodynamical properties.

Published in	Advances in Materials (Volume 9, Issue 4)
DOI	10.11648/j.am.20200904.12
Page(s)	68-93
Creative Commons	This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.
Copyright	Copyright © The Author(s), 2024. Published by Science Publishing Group

Keywords

T-X Family, Exponentiated Exponential Distribution, Order Statistics, Shannon Entropy and Likelihood Ratio Test

References

[1]	Philipps JC and Kleinman J (1959) New Method for Calculating Wave Functions in Crystals and Molecules. Phys Rev 116: 287-294.
[2]	Born M, Mayer JE (1932) Zur Gittertheorie der Ionenkristalle. Z Physik 75: 1.
[3]	Keesom WH (1921) Van der Waals attractive forces. Physik Z 22: 129.
[4]	Hirschfelder JO, Curtiss CF, Bird RB (1954) Molecular Theory of Gases and Liquids, Wiley, New York, p. 245.
[5]	London F (1937) The general theory of molecular forces. Trans Faraday Soc 33: 8-26.
[6]	Israelachvili JN (1974) The nature of van der waals forces. Comtemp Phys 15: 159-177.
[7]	Axilrod BM, Teller E (1943) Interaction of the van der Waals Type Between Three Atoms. J Chem Phys 11: 299-300.
[8]	Axilrod BM (1951) Triple-Dipole Interaction: Theory. J Chem Phys 19: 719-724.
[9]	Doran MD, Zucker IJ (1971) Higher order multipole three-body van der Waals interactions and stability of rare gas solids. J Phys C: Solid Stat Phys 4: 307-312
[10]	Bruch LW, McGee IJ (1973) Calculations and estimates ofthegroundstateenergyofheliumtrimers. JChemPhys 59: 409-413.
[11]	Bomont JM, Bretonnet JL, van der Hoef MA (2001) Comparison between integral equation method and molecular dynamics simulation for three-body forces: Application to supercritical argon. J Chem Phys 114: 5674-5681.
[12]	Slater JC, Kirkwood JG (1931) The Van Der Waals Forces in Gases. Phys Rev 37: 682-697.
[13]	Aziz RA, Slaman MJ (1986) The argon and krypton interatomic potentials revisited. Mol Phys 58: 679-697.
[14]	Bretonnet JL (2011) Thermodynamic Perturbation Theory of Simple Liquids, Published in the book: Thermodynamics - Interaction Studies - Solids, Liquids and Gases, p. 839-870. https://www.intechopen.com/
[15]	Hoover WG, Ree FH (1967) Use of Computer Experiments to Locate the Melting Transition and Calculate the Entropy in the Solid Phase. J Chem Phys 47: 4873-4878.
[16]	Hoover WG, Ree FH (1968) Melting Transition and Communal Entropy for Hard Spheres. J Chem Phys 49: 3609-3617.
[17]	Chacon E, Reinaldo-Falagan M, Velasco E, Tarazona P (2001) Layering at Free Liquid Surfaces. Phys Rev Lett 87: 166101-1-4.
[18]	Li D, Rice SA (2004) Some Properties of “Madrid” Liquids. J Phys Chem B 108: 19640-19646.
[19]	Bomont JM, Bretonnet JL (2006) An effective pair potential for thermodynamics and structural properties of liquid mercury. J Chem Phys 124: 054504-1-8.
[20]	Ashcroft NW (1966) Electron-ion pseudopotentials in metals. Phys Lett 23: 48-50.
[21]	Heine V, Abarenkov IV (1964) A new method for the electronic structure of metals. Phil Mag 9: 451-465.
[22]	Abarenkov IV, Heine V (1965) The model potential for positive ions. Phil Mag 12: 529-537.
[23]	Shaw RW, Harrison WA (1967) Reformulation of the Screened Heine-Abarenkov Model Potential. Phys Rev 163: 604-611.
[24]	Heine V (1970) The Pseudopotential Concept. Solid State Phys 24: 1-36.
[25]	Harrison WA (1966) Pseudopotentiels in the Theory of Metals, Benjamin, New York, p. 46.
[26]	Shaw RW (1968) Optimum Form of a Modified Heine- Abarenkov Model Potential for the Theory of Simple Metals. Phys Rev 174: 769-781.
[27]	Shaw RW (1969) Application of the optimized model potential to calculation of energy-wave-number characteristics for simple metals. J Phys C: Solid State Phys 2: 2335-2349.
[28]	Hubbard J (1957) The Description of Collective Motions in Terms of Many-Body Perturbation Theory. II. The Correlation Energy of a Free-Electron Gas. Proc Roy Soc (London) A 243: 336-352.
[29]	Lindhard J (1954) On the properties of a gas of charged particles. Kgl Danske Videnskab Selskab Mat Fys Medd 28: 8. 84 Jean-Louis Bretonnet: Interactions in Atomic and Ionic Liquids
[30]	Friedel J (1952) The distribution of electrons round impurities in monovalent metals. Phil Mag 43: 153-189.
[31]	Shimoji M (1977) Liquid Metals, Acad. Press London, p. 105.
[32]	Hafner J (1987) From Hamiltonians to Phase Diagrams, Springer-Verlag, Berlin.
[33]	Young WH (1992) Structural and thermodynamic properties of NFE liquid metals and binary alloys. Rep Prog Phys 55: 1769-1853.
[34]	Pines D, Nozires P (1966) The Theory of Quantum Liquids 1, Benjamin, New York.
[35]	Raimes S (1967) The Wave Mechanics of Electrons in metals, North-Holland Publishing. Company, Amsterdam.
[36]	Ashcroft NW, Stroud D (1978) Theory of the Thermodynamics of Simple Liquid Metals. Solid State Physics 33: 1-81.
[37]	Baus M, Hansen JP (1980) Statistical mechanics of simple coulomb systems. Physics Reports 59: 1-94.
[38]	Ichimaru S (1982) Strongly coupled plasmas: high- density classical plasmas and degenerate electron liquids. Rev Mod Phys 54: 1017.
[39]	March NH, Tosi MP (1984) Coulomb Liquids, Acad Press, London, p. 70.
[40]	Vashishta P, Singwi KS (1972) Electron Correlations at Metallic Densities. Phys Rev B 6: 875-887.
[41]	Ichimaru S, Utsumi K (1981) Analytic expression for the dielectric screening function of strongly coupled electron liquids at metallic and lower densities. Phys Rev B 24: 7385-7388.
[42]	Farid B, Heine V, Engel GE, Robertson IJ (1993) Extremal properties of the Harris-Foulkes functional and an improved screening calculation for the electron gas. Phys Rev B 48: 11602-11621.
[43]	Bretonnet JL (2017) Basics of the density functional theory, AIMS Materials Science, 4 (6): 1372-1405. http://www.aimspress.com/journal/Materials
[44]	Harrison WA (1969) Transition-Metal Pseudopotentials. Phys Rev 181: 1036-1053.
[45]	Ziman JM (1967) The electron transport properties of pure liquid metals. Advan Phys 16: 551-580.
[46]	Hensel F (1990) Critical behaviour of metallic liquids. J Phys: Condens Matter 2: SA33-SA45.
[47]	Bomont JM, Delhommelle J, Bretonnet JL (2007) Structure and thermodynamics of the expanded liquid mercury by Monte Carlo simulation: a first attempt. J. Non-Cryst. Solids 353: 3454-3458.
[48]	Bomont JM, Bretonnet JL (2008) A molecular dynamics study of density profiles at the free surface of liquid mercury. J Phys: Conf Ser 98: 042018-1-5.
[49]	Bomont JM, Bretonnet JL, Gonzalez DJ, Gonzalez LE (2009) Computer simulation calculations of the free liquid surface of mercury. Phys. Rev. B 79: 144202-1- 4.
[50]	Evans R, Kumaravadivel R (1976) A thermodynamic perturbation theory for the surface tension and ion density profile of a liquid metal. J Phys C: Solid State Phys 9: 1891-1906.
[51]	D’Evelyn MP, Rice SA (1983) A study of the liquid– vapor interface of mercury: Computer simulation results. J Chem Phys 78: 5081-5095.
[52]	Fiolhais C, Perdew JP, Armster SQ, McLaren JM, Brajczewska M (1995) Dominant density parameters and local pseudopotentials for simple metals. Phys. Rev. B 51: 14001-14011. (1996) Erratum: Dominant density parameters and local pseudopotentials for simple metals. Phys Rev B 53, 13193.
[53]	Boulahbak M, Jakse N, Wax JF, Bretonnet JL (1998) Transferable pair potentials for the description of liquid alkali metals. J Chem Phys 108: 2111-2116.
[54]	Wax JF, Albaki R, Bretonnet JL (2001) Temperature dependence of the diffusion coefficient in liquid alkali metals. Phys Rev B 65: 014301-1-9.
[55]	Wax JF, Albaki R, Bretonnet JL (2000) Structural and dynamique properties of liquid alkali-earth metals near the melting point. Phys Rev B 62: 14818-14827.
[56]	Mendoub EB, Albaki R, Charpentier I, Bretonnet JL, Wax JF, Jakse N. (2007) Molecular dynamics and integral equation study of the structure and thermodynamics of polyvalent liquid metals. J. Non-Cryst. Solids 353: 3475–3479.
[57]	Hohenberg P, Kohn W (1964) Inhomogeneous Electron Gas. Phys Rev 136: B864-B871.
[58]	Kohn W, Sham LJ (1965) Self-Consistent Equations Including Exchange and Correlation Effects. Phys Rev 140: A1133-A1138.
[59]	Car R, Parrinello M (1985) Unified Approach for Molecular Dynamics and Density-Functional Theory. Phys Rev Lett 55: 2471-2474.

Cite This Article

Plain Text BibTeX RIS

APA Style

Jean-Louis Bretonnet. (2020). Interactions in Atomic and Ionic Liquids. Advances in Materials, 9(4), 68-93. https://doi.org/10.11648/j.am.20200904.12

Copy | Download

ACS Style

Jean-Louis Bretonnet. Interactions in Atomic and Ionic Liquids. Adv. Mater. 2020, 9(4), 68-93. doi: 10.11648/j.am.20200904.12

Copy | Download

AMA Style

Jean-Louis Bretonnet. Interactions in Atomic and Ionic Liquids. Adv Mater. 2020;9(4):68-93. doi: 10.11648/j.am.20200904.12

Copy | Download

@article{10.11648/j.am.20200904.12,
  author = {Jean-Louis Bretonnet},
  title = {Interactions in Atomic and Ionic Liquids},
  journal = {Advances in Materials},
  volume = {9},
  number = {4},
  pages = {68-93},
  doi = {10.11648/j.am.20200904.12},
  url = {https://doi.org/10.11648/j.am.20200904.12},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.am.20200904.12},
  abstract = {This review seeks to describe, from first principles, the nature of the interaction forces in atomic and ionic liquids. The atoms and molecules made up of dipoles and multipoles interact with van der Waals forces, while the ionic systems are viewed as pseudoions interacting through effective forces depending on the electronic structure and the physical ionic arrangement. The interplay between these two aspects of materials is quite complex and forms the main subject of this review. As it will be shown, the two-component system of interacting electrons and ions can be reduced, in second order perturbation theory, to an effective one-component system made up of pseudoions acting under the influence of two-body, central, screened potentials. These potentials result from a weak interaction between the electrons and the ions, deduced from the pseudopotential theory. Once the interatomic forces are known, the atomic structure and the electronic transport properties can be determined by methods of classical mechanics and quantum mechanics. Besides, a large volume-dependent term in the free energy, independent of the ionic positions, which distinguishes the conducting liquids from the simple isolator liquids like argon, is indispensable for explaining the thermodynamical properties.},
 year = {2020}
}

Copy | Download

TY  - JOUR
T1  - Interactions in Atomic and Ionic Liquids
AU  - Jean-Louis Bretonnet
Y1  - 2020/11/23
PY  - 2020
N1  - https://doi.org/10.11648/j.am.20200904.12
DO  - 10.11648/j.am.20200904.12
T2  - Advances in Materials
JF  - Advances in Materials
JO  - Advances in Materials
SP  - 68
EP  - 93
PB  - Science Publishing Group
SN  - 2327-252X
UR  - https://doi.org/10.11648/j.am.20200904.12
AB  - This review seeks to describe, from first principles, the nature of the interaction forces in atomic and ionic liquids. The atoms and molecules made up of dipoles and multipoles interact with van der Waals forces, while the ionic systems are viewed as pseudoions interacting through effective forces depending on the electronic structure and the physical ionic arrangement. The interplay between these two aspects of materials is quite complex and forms the main subject of this review. As it will be shown, the two-component system of interacting electrons and ions can be reduced, in second order perturbation theory, to an effective one-component system made up of pseudoions acting under the influence of two-body, central, screened potentials. These potentials result from a weak interaction between the electrons and the ions, deduced from the pseudopotential theory. Once the interatomic forces are known, the atomic structure and the electronic transport properties can be determined by methods of classical mechanics and quantum mechanics. Besides, a large volume-dependent term in the free energy, independent of the ionic positions, which distinguishes the conducting liquids from the simple isolator liquids like argon, is indispensable for explaining the thermodynamical properties.
VL  - 9
IS  - 4
ER  -

Copy | Download

Author Information

Jean-Louis Bretonnet

LCP-A2MC (EA 3469), University of Lorraine, Metz, France

Download PDF

Sections

Plain Text BibTeX RIS

APA Style

Jean-Louis Bretonnet. (2020). Interactions in Atomic and Ionic Liquids. Advances in Materials, 9(4), 68-93. https://doi.org/10.11648/j.am.20200904.12

Copy | Download

ACS Style

Jean-Louis Bretonnet. Interactions in Atomic and Ionic Liquids. Adv. Mater. 2020, 9(4), 68-93. doi: 10.11648/j.am.20200904.12

Copy | Download

AMA Style

Jean-Louis Bretonnet. Interactions in Atomic and Ionic Liquids. Adv Mater. 2020;9(4):68-93. doi: 10.11648/j.am.20200904.12

Copy | Download

@article{10.11648/j.am.20200904.12,
  author = {Jean-Louis Bretonnet},
  title = {Interactions in Atomic and Ionic Liquids},
  journal = {Advances in Materials},
  volume = {9},
  number = {4},
  pages = {68-93},
  doi = {10.11648/j.am.20200904.12},
  url = {https://doi.org/10.11648/j.am.20200904.12},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.am.20200904.12},
  abstract = {This review seeks to describe, from first principles, the nature of the interaction forces in atomic and ionic liquids. The atoms and molecules made up of dipoles and multipoles interact with van der Waals forces, while the ionic systems are viewed as pseudoions interacting through effective forces depending on the electronic structure and the physical ionic arrangement. The interplay between these two aspects of materials is quite complex and forms the main subject of this review. As it will be shown, the two-component system of interacting electrons and ions can be reduced, in second order perturbation theory, to an effective one-component system made up of pseudoions acting under the influence of two-body, central, screened potentials. These potentials result from a weak interaction between the electrons and the ions, deduced from the pseudopotential theory. Once the interatomic forces are known, the atomic structure and the electronic transport properties can be determined by methods of classical mechanics and quantum mechanics. Besides, a large volume-dependent term in the free energy, independent of the ionic positions, which distinguishes the conducting liquids from the simple isolator liquids like argon, is indispensable for explaining the thermodynamical properties.},
 year = {2020}
}

Copy | Download

TY  - JOUR
T1  - Interactions in Atomic and Ionic Liquids
AU  - Jean-Louis Bretonnet
Y1  - 2020/11/23
PY  - 2020
N1  - https://doi.org/10.11648/j.am.20200904.12
DO  - 10.11648/j.am.20200904.12
T2  - Advances in Materials
JF  - Advances in Materials
JO  - Advances in Materials
SP  - 68
EP  - 93
PB  - Science Publishing Group
SN  - 2327-252X
UR  - https://doi.org/10.11648/j.am.20200904.12
AB  - This review seeks to describe, from first principles, the nature of the interaction forces in atomic and ionic liquids. The atoms and molecules made up of dipoles and multipoles interact with van der Waals forces, while the ionic systems are viewed as pseudoions interacting through effective forces depending on the electronic structure and the physical ionic arrangement. The interplay between these two aspects of materials is quite complex and forms the main subject of this review. As it will be shown, the two-component system of interacting electrons and ions can be reduced, in second order perturbation theory, to an effective one-component system made up of pseudoions acting under the influence of two-body, central, screened potentials. These potentials result from a weak interaction between the electrons and the ions, deduced from the pseudopotential theory. Once the interatomic forces are known, the atomic structure and the electronic transport properties can be determined by methods of classical mechanics and quantum mechanics. Besides, a large volume-dependent term in the free energy, independent of the ionic positions, which distinguishes the conducting liquids from the simple isolator liquids like argon, is indispensable for explaining the thermodynamical properties.
VL  - 9
IS  - 4
ER  -

Copy | Download