Toward a quantitative theory of Hofmeister phenomena: From quantum effects to thermodynamics

Travis P. Pollard; Thomas L. Beck

doi:10.1016/j.cocis.2016.06.015

Toward a quantitative theory of Hofmeister phenomena: From quantum effects to thermodynamics

Travis P. Pollard, Thomas L. Beck

Research output: Contribution to journal › Review article › peer-review

57 Scopus citations

Abstract

Several recent developments have enhanced our understanding of specific ion hydration. These advances have included the Law of Matching Water Affinities and the realization that many-body dispersion forces and polarization can play important roles in ion specificity. Efforts have been made to partition the relevant ion free energies into their physically contributing parts in order to gain further insights into the driving forces. Yet a quantitative theory of ion specificity that links the necessary molecular-level treatment of the inner hydration shell with the many-body response of Lifshitz theory at longer range is still lacking. This review summarizes some steps toward quantitative models of specific ion hydration and discusses a possible path looking forward.

Original language	English
Pages (from-to)	110-118
Number of pages	9
Journal	Current Opinion in Colloid and Interface Science
Volume	23
DOIs	https://doi.org/10.1016/j.cocis.2016.06.015
State	Published - Jun 1 2016
Externally published	Yes

Funding

This research was supported by the National Science Foundation under grants CHE-1011746 and CHE-1266105 . We thank the Ohio Supercomputer Center for a generous grant of computer time. We also thank Lawrence Pratt, Chris Mundy, Shawn Kathmann, Greg Schenter, Tim Duignan, Drew Parsons, Barry Ninham, and Pierandrea Lo Nostro for many helpful conversations.

Funders	Funder number
National Science Foundation	CHE-1011746, CHE-1266105

Keywords

Hofmeister
Interfacial chemistry
Ion hydration
Quantum chemistry
Statistical mechanics
Theory and simulation

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10.1016/j.cocis.2016.06.015

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title = "Toward a quantitative theory of Hofmeister phenomena: From quantum effects to thermodynamics",

abstract = "Several recent developments have enhanced our understanding of specific ion hydration. These advances have included the Law of Matching Water Affinities and the realization that many-body dispersion forces and polarization can play important roles in ion specificity. Efforts have been made to partition the relevant ion free energies into their physically contributing parts in order to gain further insights into the driving forces. Yet a quantitative theory of ion specificity that links the necessary molecular-level treatment of the inner hydration shell with the many-body response of Lifshitz theory at longer range is still lacking. This review summarizes some steps toward quantitative models of specific ion hydration and discusses a possible path looking forward.",

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AU - Beck, Thomas L.

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N2 - Several recent developments have enhanced our understanding of specific ion hydration. These advances have included the Law of Matching Water Affinities and the realization that many-body dispersion forces and polarization can play important roles in ion specificity. Efforts have been made to partition the relevant ion free energies into their physically contributing parts in order to gain further insights into the driving forces. Yet a quantitative theory of ion specificity that links the necessary molecular-level treatment of the inner hydration shell with the many-body response of Lifshitz theory at longer range is still lacking. This review summarizes some steps toward quantitative models of specific ion hydration and discusses a possible path looking forward.

AB - Several recent developments have enhanced our understanding of specific ion hydration. These advances have included the Law of Matching Water Affinities and the realization that many-body dispersion forces and polarization can play important roles in ion specificity. Efforts have been made to partition the relevant ion free energies into their physically contributing parts in order to gain further insights into the driving forces. Yet a quantitative theory of ion specificity that links the necessary molecular-level treatment of the inner hydration shell with the many-body response of Lifshitz theory at longer range is still lacking. This review summarizes some steps toward quantitative models of specific ion hydration and discusses a possible path looking forward.

KW - Hofmeister

KW - Interfacial chemistry

KW - Ion hydration

KW - Quantum chemistry

KW - Statistical mechanics

KW - Theory and simulation

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SN - 1359-0294

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JO - Current Opinion in Colloid and Interface Science

JF - Current Opinion in Colloid and Interface Science

ER -

Toward a quantitative theory of Hofmeister phenomena: From quantum effects to thermodynamics

Abstract

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Keywords

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