Beyond the Debye–Hückel limit: Toward a general theory for concentrated electrolytes

Dinpajooh, Mohammadhasan; Intan, Nadia N.; Duignan, Timothy T.; Biasin, Elisa; Fulton, John L.; Kathmann, Shawn M.; Schenter, Gregory K.; Mundy, Christopher J.

doi:10.1063/5.0238708

Title: Beyond the Debye–Hückel limit: Toward a general theory for concentrated electrolytes

Journal Article · 16 December 2024 · Journal of Chemical Physics

DOI: https://doi.org/10.1063/5.0238708 · OSTI ID:2481637

^[1];

^[2];

^[1];

^[3]

Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Griffith University, Nathan, QLD (Australia)
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Univ. of Washington, Seattle, WA (United States)

The phenomenon of underscreening in concentrated electrolyte solutions leads to a larger decay length of the charge–charge correlation than the prediction of Debye–Hückel (DH) theory and has found a resurgence of both theoretical and experimental interest in the chemical physics community. To systematically understand and investigate this phenomenon in electrolytes requires a theory of concentrated electrolytes to describe charge–charge correlations beyond the DH theory. We review the theories of electrolytes that can transition from the DH limit to concentrations where charge correlations dominate, giving rise to underscreening and the associated Kirkwood Transitions (KTs). In this perspective, we provide a conceptual approach to a theoretical formulation of electrolyte solutions that exploits the competition between molecular-informed short-range (SR) and long-range interactions. We demonstrate that all deviations from the DH limit for real electrolyte solutions can be expressed through a single function Σ(Q) that can be determined both theoretically and numerically. Importantly, Σ(Q) can be directly related to the details of SR interactions and, therefore, can be used as a tool to understand how differences in representations of interaction can influence collective effects. The precise function form of Σ(Q) can be inferred through a Gaussian field theory of both the number and charge densities. The resulting formulation is validated by experiment and can accurately describe the collective phenomenon of screening in concentrated bulk electrolytes. Importantly, the Gaussian field theory predictions of the screening lengths appear to be less than ~1 nm at concentrations above KTs.

View Journal Article

Cite

Export

Save

Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 2481637

Report Number(s):: PNNL-SA--203397

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 23 Vol. 161; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

References (90)

Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
The hypernetted chain (HNC) equation for higher valence electrolytes Rasaiah, J. Chemical Physics Letters, Vol. 7, Issue 2 https://doi.org/10.1016/0009-2614(70)80303-7	journal	October 1970
Ions interacting in solution: Moving from intrinsic to collective properties Duignan, Timothy T.; Baer, Marcel D.; Mundy, Christopher J. Current Opinion in Colloid & Interface Science, Vol. 23 https://doi.org/10.1016/j.cocis.2016.05.009	journal	June 2016
The known-unknowns of anomalous underscreening in concentrated electrolytes Elliott, Gareth R.; Gregory, Kasimir P.; Robertson, Hayden Chemical Physics Letters, Vol. 843 https://doi.org/10.1016/j.cplett.2024.141190 141190	journal	May 2024
Absence of anomalous underscreening in highly concentrated aqueous electrolytes confined between smooth silica surfaces Kumar, Saravana; Cats, Peter; Alotaibi, Mohammed B. Journal of Colloid and Interface Science, Vol. 622 https://doi.org/10.1016/j.jcis.2022.05.004	journal	September 2022
Structure of ionic liquids and concentrated electrolytes from a mesoscopic theory Ciach, A.; Patsahan, O. Journal of Molecular Liquids, Vol. 377 https://doi.org/10.1016/j.molliq.2023.121453	journal	May 2023
The one-component plasma: a conceptual approach Tamashiro, M. N.; Levin, Yan; Barbosa, Marcia C. Physica A: Statistical Mechanics and its Applications, Vol. 268, Issue 1-2 https://doi.org/10.1016/s0378-4371(99)00013-8	journal	June 1999
Toward a First-Principles Framework for Predicting Collective Properties of Electrolytes Duignan, Timothy T.; Kathmann, Shawn M.; Schenter, Gregory K. Accounts of Chemical Research, Vol. 54, Issue 13 https://doi.org/10.1021/acs.accounts.1c00107	journal	June 2021
Systematic Incorporation of Ionic Hard-Core Size into the Debye–Hückel Theory via the Cumulant Expansion of the Schwinger–Dyson Equations Buyukdagli, Sahin Journal of Chemical Theory and Computation, Vol. 20, Issue 7 https://doi.org/10.1021/acs.jctc.4c00011	journal	March 2024
A Method for Efficiently Predicting the Radial Distribution Function and Osmotic Coefficients of Aqueous Electrolyte Solutions Zhang, Junji; Searles, Debra J.; Duignan, Timothy Journal of Chemical Theory and Computation, Vol. 20, Issue 15 https://doi.org/10.1021/acs.jctc.4c00363	journal	August 2024
Local Molecular Field Theory for Coulomb Interactions in Aqueous Solutions Gao, Ang; Remsing, Richard C.; Weeks, John D. The Journal of Physical Chemistry B, Vol. 127, Issue 4 https://doi.org/10.1021/acs.jpcb.2c06988	journal	January 2023
Dielectric Saturation in Water from a Long-Range Machine Learning Model Dhattarwal, Harender S.; Gao, Ang; Remsing, Richard C. The Journal of Physical Chemistry B, Vol. 127, Issue 16 https://doi.org/10.1021/acs.jpcb.3c00390	journal	April 2023
Correlation Length in Concentrated Electrolytes: Insights from All-Atom Molecular Dynamics Simulations Coles, Samuel W.; Park, Chanbum; Nikam, Rohit The Journal of Physical Chemistry B https://doi.org/10.1021/acs.jpcb.9b10542	journal	February 2020
Building Water Models Compatible with Charge Scaling Molecular Dynamics Cruces Chamorro, Victor; Jungwirth, Pavel; Martinez-Seara, Hector The Journal of Physical Chemistry Letters, Vol. 15, Issue 10 https://doi.org/10.1021/acs.jpclett.4c00344	journal	March 2024
The Electrostatic Screening Length in Concentrated Electrolytes Increases with Concentration Smith, Alexander M.; Lee, Alpha A.; Perkin, Susan The Journal of Physical Chemistry Letters, Vol. 7, Issue 12 https://doi.org/10.1021/acs.jpclett.6b00867	journal	May 2016
Statistical Mechanics of Liquid Solutions. Kirkwood, John G. Chemical Reviews, Vol. 19, Issue 3 https://doi.org/10.1021/cr60064a007	journal	December 1936
Modified Debye-Hueckel Approximation with Effective Charges: An Application of Dressed Ion Theory for Electrolyte Solutions Kjellander, Roland The Journal of Physical Chemistry, Vol. 99, Issue 25 https://doi.org/10.1021/j100025a048	journal	June 1995
Effective pair interactions in liquids. Water Stillinger, Frank H. The Journal of Physical Chemistry, Vol. 74, Issue 21 https://doi.org/10.1021/j100715a001	journal	October 1970
The Statistical Mechanical Basis of the Debye–Hüekel Theory of Strong Electrolytes Kirkwood, John G.; Poirier, Jacques C. The Journal of Physical Chemistry, Vol. 58, Issue 8 https://doi.org/10.1021/j150518a004	journal	August 1954
Probing the Hydration Structure of Polarizable Halides: A Multiedge XAFS and Molecular Dynamics Study of the Iodide Anion Fulton, John L.; Schenter, Gregory K.; Baer, Marcel D. The Journal of Physical Chemistry B, Vol. 114, Issue 40 https://doi.org/10.1021/jp106378p	journal	October 2010
Is Iodate a Strongly Hydrated Cation? Baer, Marcel D.; Pham, Van-Thai; Fulton, John L. The Journal of Physical Chemistry Letters, Vol. 2, Issue 20 https://doi.org/10.1021/jz2011435	journal	October 2011
Effect of Interfacial Ion Structuring on Range and Magnitude of Electric Double Layer, Hydration, and Adhesive Interactions between Mica Surfaces in 0.05–3 M Li ⁺ and Cs ⁺ Electrolyte Solutions Baimpos, Theodoros; Shrestha, Buddha R.; Raman, Sangeetha Langmuir, Vol. 30, Issue 15 https://doi.org/10.1021/la500288w	journal	April 2014
Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional Sun, Jianwei; Remsing, Richard C.; Zhang, Yubo Nature Chemistry, Vol. 8, Issue 9 https://doi.org/10.1038/nchem.2535	journal	June 2016
E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials Batzner, Simon; Musaelian, Albert; Sun, Lixin Nature Communications, Vol. 13, Issue 1 https://doi.org/10.1038/s41467-022-29939-5	journal	May 2022
The intimate relationship between the dielectric response and the decay of intermolecular correlations and surface forces in electrolytes Kjellander, Roland Soft Matter https://doi.org/10.1039/C9SM00712A	journal	January 2019
Switchable long-range double layer force observed in a protic ionic liquid Hjalmarsson, N.; Atkin, R.; Rutland, M. W. Chemical Communications, Vol. 53, Issue 3 https://doi.org/10.1039/c6cc07396d	journal	January 2017
Decay behavior of screened electrostatic surface forces in ionic liquids: the vital role of non-local electrostatics Kjellander, Roland Physical Chemistry Chemical Physics, Vol. 18, Issue 28 https://doi.org/10.1039/c6cp02418a	journal	January 2016
Underscreening in concentrated electrolytes Lee, Alpha A.; Perez-Martinez, Carla S.; Smith, Alexander M. Faraday Discussions, Vol. 199 https://doi.org/10.1039/c6fd00250a	journal	January 2017
Electrical noise in electrolytes: a theoretical perspective Hoang Ngoc Minh, Thê; Kim, Jeongmin; Pireddu, Giovanni Faraday Discussions, Vol. 246 https://doi.org/10.1039/d3fd00026e	journal	January 2023
Scaling perspectives of underscreening in concentrated electrolyte solutions Safran, Samuel A.; Pincus, Philip A. Soft Matter, Vol. 19, Issue 41 https://doi.org/10.1039/d3sm01094e	journal	January 2023
Integral Equation Methods in the Computation of Equilibrium Properties of Ionic Solutions Rasaiah, Jayendran C.; Friedman, Harold L. The Journal of Chemical Physics, Vol. 48, Issue 6 https://doi.org/10.1063/1.1669510	journal	March 1968
Extension of the Debye–Hückel Theory of Electrolyte Solutions Outhwaite, C. W. The Journal of Chemical Physics, Vol. 50, Issue 6 https://doi.org/10.1063/1.1671378	journal	March 1969
Integral Equation Computations for Aqueous 1–1 Electrolytes. Accuracy of the Method Rasaiah, Jayendran C.; Friedman, Harold L. The Journal of Chemical Physics, Vol. 50, Issue 9 https://doi.org/10.1063/1.1671657	journal	May 1969
Computations for Higher Valence Electrolytes in the Restricted Primitive Model Rasaiah, Jayendran C. The Journal of Chemical Physics, Vol. 56, Issue 6 https://doi.org/10.1063/1.1677643	journal	March 1972
Mean Spherical Model Integral Equation for Charged Hard Spheres I. Method of Solution Waisman, Eduardo; Lebowitz, Joel L. The Journal of Chemical Physics, Vol. 56, Issue 6 https://doi.org/10.1063/1.1677644	journal	March 1972
Mean Spherical Model Integral Equation for Charged Hard Spheres. II. Results Waisman, Eduardo; Lebowitz, Joel L. The Journal of Chemical Physics, Vol. 56, Issue 6 https://doi.org/10.1063/1.1677645	journal	March 1972
Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases VandeVondele, Joost; Hutter, Jürg The Journal of Chemical Physics, Vol. 127, Issue 11 https://doi.org/10.1063/1.2770708	journal	September 2007
Ion-specific thermodynamics of multicomponent electrolytes: A hybrid HNC/MD approach Vrbka, Luboš; Lund, Mikael; Kalcher, Immanuel The Journal of Chemical Physics, Vol. 131, Issue 15 https://doi.org/10.1063/1.3248218	journal	October 2009
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu Grimme, Stefan; Antony, Jens; Ehrlich, Stephan The Journal of Chemical Physics, Vol. 132, Issue 15 https://doi.org/10.1063/1.3382344	journal	April 2010
A molecular Debye-Hückel theory and its applications to electrolyte solutions Xiao, Tiejun; Song, Xueyu The Journal of Chemical Physics, Vol. 135, Issue 10 https://doi.org/10.1063/1.3632052	journal	September 2011
Variational model for micelle structure Stillinger, Frank H. The Journal of Chemical Physics, Vol. 78, Issue 7 https://doi.org/10.1063/1.445310	journal	April 1983
Lattice model of microemulsions Widom, B. The Journal of Chemical Physics, Vol. 84, Issue 12 https://doi.org/10.1063/1.450615	journal	June 1986
Origin of the scattering peak in microemulsions Teubner, M.; Strey, R. The Journal of Chemical Physics, Vol. 87, Issue 5 https://doi.org/10.1063/1.453006	journal	September 1987
Asymptotic decay of correlations in liquids and their mixtures Evans, R.; Leote de Carvalho, R. J. F.; Henderson, J. R. The Journal of Chemical Physics, Vol. 100, Issue 1 https://doi.org/10.1063/1.466920	journal	January 1994
Dressed‐ion theory for electrolyte solutions: A Debye–Hückel‐like reformulation of the exact theory for the primitive model Kjellander, Roland; Mitchell, D. John The Journal of Chemical Physics, Vol. 101, Issue 1 https://doi.org/10.1063/1.468116	journal	July 1994
A simple model for Coulombic systems. Thermodynamics, correlation functions and criticality Stafiej, J.; Badiali, J. P. The Journal of Chemical Physics, Vol. 106, Issue 20 https://doi.org/10.1063/1.473919	journal	May 1997
Mean-field theory of the phase diagram of ultrasoft, oppositely charged polyions in solution Nikoubashman, Arash; Hansen, Jean-Pierre; Kahl, Gerhard The Journal of Chemical Physics, Vol. 137, Issue 9 https://doi.org/10.1063/1.4748378	journal	September 2012
Screening properties of Gaussian electrolyte models, with application to dissipative particle dynamics Warren, Patrick B.; Vlasov, Andrey; Anton, Lucian The Journal of Chemical Physics, Vol. 138, Issue 20 https://doi.org/10.1063/1.4807057	journal	May 2013
Free energy functionals for polarization fluctuations: Pekar factor revisited Dinpajooh, Mohammadhasan; Newton, Marshall D.; Matyushov, Dmitry V. The Journal of Chemical Physics, Vol. 146, Issue 6 https://doi.org/10.1063/1.4975625	journal	February 2017
A molecular Debye-Hückel theory and its applications to electrolyte solutions: The size asymmetric case Xiao, Tiejun; Song, Xueyu The Journal of Chemical Physics, Vol. 146, Issue 12 https://doi.org/10.1063/1.4978895	journal	March 2017
Focus Article: Oscillatory and long-range monotonic exponential decays of electrostatic interactions in ionic liquids and other electrolytes: The significance of dielectric permittivity and renormalized charges Kjellander, Roland The Journal of Chemical Physics, Vol. 148, Issue 19 https://doi.org/10.1063/1.5010024	journal	May 2018
A Kirkwood-Buff derived force field for alkaline earth halide salts Naleem, Nawavi; Bentenitis, Nikolaos; Smith, Paul E. The Journal of Chemical Physics, Vol. 148, Issue 22 https://doi.org/10.1063/1.5019454	journal	June 2018
Describing screening in dense ionic fluids with a charge-frustrated Ising model Ludwig, Nicholas B.; Dasbiswas, Kinjal; Talapin, Dmitri V. The Journal of Chemical Physics, Vol. 149, Issue 16 https://doi.org/10.1063/1.5043410	journal	October 2018
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations Kühne, Thomas D.; Iannuzzi, Marcella; Del Ben, Mauro The Journal of Chemical Physics, Vol. 152, Issue 19 https://doi.org/10.1063/5.0007045	journal	May 2020
Simulations of activities, solubilities, transport properties, and nucleation rates for aqueous electrolyte solutions Panagiotopoulos, Athanassios Z. The Journal of Chemical Physics, Vol. 153, Issue 1 https://doi.org/10.1063/5.0012102	journal	July 2020
When do short-range atomistic machine-learning models fall short? Yue, Shuwen; Muniz, Maria Carolina; Calegari Andrade, Marcos F. The Journal of Chemical Physics, Vol. 154, Issue 3 https://doi.org/10.1063/5.0031215	journal	January 2021
On the modified Poisson–Boltzmann closure for primitive model electrolytes at high concentration Outhwaite, Christopher W.; Bhuiyan, Lutful Bari The Journal of Chemical Physics, Vol. 155, Issue 1 https://doi.org/10.1063/5.0054203	journal	July 2021
Underscreening and hidden ion structures in large scale simulations of concentrated electrolytes Krucker-Velasquez, Emily; Swan, James W. The Journal of Chemical Physics, Vol. 155, Issue 13 https://doi.org/10.1063/5.0061230	journal	October 2021
A deep potential model with long-range electrostatic interactions Zhang, Linfeng; Wang, Han; Muniz, Maria Carolina The Journal of Chemical Physics, Vol. 156, Issue 12 https://doi.org/10.1063/5.0083669	journal	March 2022
Detecting underscreening and generalized Kirkwood transitions in aqueous electrolytes Dinpajooh, Mohammadhasan; Biasin, Elisa; Nienhuis, Emily T. The Journal of Chemical Physics, Vol. 161, Issue 15 https://doi.org/10.1063/5.0234518	journal	October 2024
Ionic liquids behave as dilute electrolyte solutions Gebbie, M. A.; Valtiner, M.; Banquy, X. Proceedings of the National Academy of Sciences, Vol. 110, Issue 24 https://doi.org/10.1073/pnas.1307871110	journal	May 2013
Potential theory of strong electrolyte solutions using the Bogoliubov-Born-Green-Yvon integral equations Outhwaite, C. W. Molecular Physics, Vol. 28, Issue 1 https://doi.org/10.1080/00268977400101651	journal	July 1974
The mean spherical model for charged hard spheres Outhwaite, C. W.; Hutson, V. C. L. Molecular Physics, Vol. 29, Issue 5 https://doi.org/10.1080/00268977500101331	journal	May 1975
Mean spherical model for asymmetric electrolytes: I. Method of solution Blum, L. Molecular Physics, Vol. 30, Issue 5 https://doi.org/10.1080/00268977500103051	journal	November 1975
A modified Poisson-Boltzmann equation for a primitive model electrolyte with unequal ion sizes Thomlinson, M. M.; Outhwaite, C. W. Molecular Physics, Vol. 47, Issue 5 https://doi.org/10.1080/00268978200100812	journal	December 1982
The decay of correlations in ionic fluids Leote de Carvalho, R. J. F.; Evans, R. Molecular Physics, Vol. 83, Issue 4 https://doi.org/10.1080/00268979400101491	journal	November 1994
Electrostatic correlations: from plasma to biology Levin, Yan Reports on Progress in Physics, Vol. 65, Issue 11 https://doi.org/10.1088/0034-4885/65/11/201	journal	September 2002
Underscreening in ionic liquids: a first principles analysis Rotenberg, Benjamin; Bernard, Olivier; Hansen, Jean-Pierre Journal of Physics: Condensed Matter, Vol. 30, Issue 5 https://doi.org/10.1088/1361-648x/aaa3ac	journal	January 2018
Screening of Coulomb interactions in liquid dielectrics Seyedi, Salman; Martin, Daniel R.; Matyushov, Dmitry V. Journal of Physics: Condensed Matter, Vol. 31, Issue 32 https://doi.org/10.1088/1361-648x/ab1e6f	journal	May 2019
Spatially frustrated lattice models Dawson, K. A. Physical Review A, Vol. 36, Issue 7 https://doi.org/10.1103/physreva.36.3383	journal	October 1987
Renormalization of a Landau-Ginzburg-Wilson theory of microemulsion Levin, Y.; Mundy, C. J.; Dawson, K. A. Physical Review A, Vol. 45, Issue 10 https://doi.org/10.1103/physreva.45.7309	journal	May 1992
Critical behavior of ionic-fluid models Stell, George Physical Review A, Vol. 45, Issue 10 https://doi.org/10.1103/physreva.45.7628	journal	May 1992
Fluctuation-induced forces between manifolds immersed in correlated fluids Li, Hao; Kardar, Mehran Physical Review A, Vol. 46, Issue 10 https://doi.org/10.1103/physreva.46.6490	journal	November 1992
Separable dual-space Gaussian pseudopotentials Goedecker, S.; Teter, M.; Hutter, J. Physical Review B, Vol. 54, Issue 3 https://doi.org/10.1103/physrevb.54.1703	journal	July 1996
Screening length for finite-size ions in concentrated electrolytes Adar, Ram M.; Safran, Samuel A.; Diamant, Haim Physical Review E, Vol. 100, Issue 4 https://doi.org/10.1103/physreve.100.042615	journal	October 2019
Critical charge and density coupling in ionic spherical models Aqua, Jean-Noël; Fisher, Michael E. Physical Review E, Vol. 100, Issue 5 https://doi.org/10.1103/physreve.100.052145	journal	November 2019
Gaussian field model of fluids with an application to polymeric fluids Chandler, David Physical Review E, Vol. 48, Issue 4 https://doi.org/10.1103/physreve.48.2898	journal	October 1993
Charge-frustrated model of bicontinuous phases Deem, Michael W.; Chandler, David Physical Review E, Vol. 49, Issue 5 https://doi.org/10.1103/physreve.49.4268	journal	May 1994
Decay of correlations in fluids: The one-component plasma from Debye-Hückel to the asymptotic-high-density limit Leote de Carvalho, R. J. F.; Evans, R.; Rosenfeld, Y. Physical Review E, Vol. 59, Issue 2 https://doi.org/10.1103/physreve.59.1435	journal	February 1999
Phase diagram of an Ising model with long-range frustrating interactions: A theoretical analysis Grousson, M.; Tarjus, G.; Viot, P. Physical Review E, Vol. 62, Issue 6 https://doi.org/10.1103/physreve.62.7781	journal	December 2000
Monte Carlo study of the three-dimensional Coulomb frustrated Ising ferromagnet Grousson, M.; Tarjus, G.; Viot, P. Physical Review E, Vol. 64, Issue 3 https://doi.org/10.1103/physreve.64.036109	journal	August 2001
Interfacial Structural Transition in Hydration Shells of a Polarizable Solute Dinpajooh, Mohammadhasan; Matyushov, Dmitry V. Physical Review Letters, Vol. 114, Issue 20 https://doi.org/10.1103/physrevlett.114.207801	journal	May 2015
Interfacial Ordering and Accompanying Divergent Capacitance at Ionic Liquid-Metal Interfaces Limmer, David T. Physical Review Letters, Vol. 115, Issue 25 https://doi.org/10.1103/physrevlett.115.256102	journal	December 2015
Scaling Analysis of the Screening Length in Concentrated Electrolytes Lee, Alpha A.; Perez-Martinez, Carla S.; Smith, Alexander M. Physical Review Letters, Vol. 119, Issue 2 https://doi.org/10.1103/physrevlett.119.026002	journal	July 2017
Anomalous Underscreening in the Restricted Primitive Model Härtel, Andreas; Bültmann, Moritz; Coupette, Fabian Physical Review Letters, Vol. 130, Issue 10 https://doi.org/10.1103/physrevlett.130.108202	journal	March 2023
Solvent Effects on Structure and Screening in Confined Electrolytes Yang, Jie; Kondrat, Svyatoslav; Lian, Cheng Physical Review Letters, Vol. 131, Issue 11 https://doi.org/10.1103/physrevlett.131.118201	journal	September 2023
Fluctuation-induced forces between rough surfaces Li, Hao; Kardar, Mehran Physical Review Letters, Vol. 67, Issue 23 https://doi.org/10.1103/physrevlett.67.3275	journal	December 1991
Comment on “Generalized Gradient Approximation Made Simple” Zhang, Yingkai; Yang, Weitao Physical Review Letters, Vol. 80, Issue 4 https://doi.org/10.1103/physrevlett.80.890	journal	January 1998
Charge oscillations in Debye-Hückel theory Lee, B. P.; Fisher, M. E. Europhysics Letters (EPL), Vol. 39, Issue 6 https://doi.org/10.1209/epl/i1997-00402-x	journal	September 1997
Solvation in atomic liquids: connection between Gaussian field theory and density functional theory Condensed Matter Physics, Vol. 20, Issue 3 https://doi.org/10.5488/cmp.20.33005	journal	September 2017

Similar Records

Detecting underscreening and generalized Kirkwood transitions in aqueous electrolytes

Journal Article · 2024 · Journal of Chemical Physics · OSTI ID:2527262

Dinpajooh, Mohammadhasan; Biasin, Elisa; Nienhuis-Marcial, Emily T.; +6 more

A molecular Debye-Hückel theory and its applications to electrolyte solutions: The size asymmetric case

Journal Article · 2017 · Journal of Chemical Physics · OSTI ID:1355756

Xiao, Tiejun; Song, Xueyu

A Systematic Way to Extend the Debye–Hückel Theory beyond Dilute Electrolyte Solutions

Journal Article · 2021 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory · OSTI ID:1773050

Xiao, Tiejun; Song, Xueyu

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Dielectric properties
Electrolytes
Electrostatics
Field theory models
Integral equations
Molecular simulations
Statistical thermodynamics
X-ray scattering

Title: Beyond the Debye–Hückel limit: Toward a general theory for concentrated electrolytes

Citation Formats

References (90)

Similar Records

Related Subjects