Ions interacting in solution: Moving from intrinsic to collective properties

Duignan, Timothy T.; Baer, Marcel D.; Mundy, Christopher J.

doi:10.1016/j.cocis.2016.05.009

Title: Ions interacting in solution: Moving from intrinsic to collective properties

Full Record
Other Related Research

Authors:

; Baer, Marcel D.; Mundy, Christopher J.

Publication Date:: Wed Jun 01 00:00:00 EDT 2016

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1358966

Grant/Contract Number:: AC02-05CH11231

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Current Opinion in Colloid & Interface Science

Additional Journal Information:: Journal Name: Current Opinion in Colloid & Interface Science Journal Volume: 23 Journal Issue: C; Journal ID: ISSN 1359-0294

Publisher:: Elsevier

Country of Publication:: United Kingdom

Language:: English

Citation Formats


                    Duignan, Timothy T., Baer, Marcel D., and Mundy, Christopher J. Ions interacting in solution: Moving from intrinsic to collective properties.  United Kingdom: N. p., 2016. 
Web.  doi:10.1016/j.cocis.2016.05.009.

Copy to clipboard


                    Duignan, Timothy T., Baer, Marcel D., & Mundy, Christopher J. Ions interacting in solution: Moving from intrinsic to collective properties.  United Kingdom.  https://doi.org/10.1016/j.cocis.2016.05.009

Copy to clipboard


                    Duignan, Timothy T., Baer, Marcel D., and Mundy, Christopher J. Wed .  
"Ions interacting in solution: Moving from intrinsic to collective properties".  United Kingdom.  https://doi.org/10.1016/j.cocis.2016.05.009.

Copy to clipboard


                    
@article{osti_1358966,

  title        = {Ions interacting in solution: Moving from intrinsic to collective properties},

  author       = {Duignan, Timothy T. and Baer, Marcel D. and Mundy, Christopher J.},

  abstractNote = {},

  doi          = {10.1016/j.cocis.2016.05.009},

  journal      = {Current Opinion in Colloid & Interface Science},

  number       = C,

  volume       = 23,

  place        = {United Kingdom},

  year         = {Wed Jun 01 00:00:00 EDT 2016},

  month        = {Wed Jun 01 00:00:00 EDT 2016}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Publisher's Version of Record
https://doi.org/10.1016/j.cocis.2016.05.009

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 24 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Similar Records in DOE PAGES and OSTI.GOV collections:

Ions interacting in solution: Moving from intrinsic to collective properties

Journal Article Duignan, Timothy T. ; Baer, Marcel D. ; Mundy, Christopher J. - Current Opinion in Colloid & Interface Science

A crucial determinant of Hofmeister effects is the direct interaction of ions in solution with the charged groups on the surface of larger particles. Understanding ion–ion interactions in solution is therefore a necessary first step to explaining Hofmeister effects. Here, we advocate an approach to modeling these types of properties where state of the art Ab Initio Molecular Dynamics (AIMD) simulation of ions in solution is used to establish benchmark values for the intrinsic properties of ions in solution such as solvation structures and ion–ion Potentials of Mean Force (PMFs). This information can then be combined with or used to parametrize and improve reduced models, which use approximations such as the continuum solvent model.(CSM) These reduced models can then be used to calculate collective and concentration dependent properties of electrolyte solution and so make accurate predictions about complex systems of relevance for direct applications. We provide an example of this approach using AIMD calculations of the sodium chloride dimer to calculate osmotic coefficients of all 20 alkali halide electrolytes. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. TD and CJM were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. MDB was supported by MSmore »« less
https://doi.org/10.1016/j.cocis.2016.05.009
Ion-dependent protein–surface interactions from intrinsic solvent response

Journal Article Prelesnik, Jesse L. ; Alberstein, Robert G. ; Zhang, Shuai ; ... - Proceedings of the National Academy of Sciences of the United States of America

The phyllosilicate mineral muscovite mica is widely used as a surface template for the patterning of macromolecules, yet a molecular understanding of its surface chemistry under varying solution conditions, required to predict and control the self-assembly of adsorbed species, is lacking. We utilize all-atom molecular dynamics simulations in conjunction with an electrostatic analysis based in local molecular field theory that affords a clean separation of long-range and short-range electrostatics. Using water polarization response as a measure of the electric fields that arise from patterned, surface-bound ions that direct the adsorption of charged macromolecules, we apply a Landau theory of forcesmore »« less
https://doi.org/10.1073/pnas.2025121118
Survey of Collective Instabilities and Beam-Plasma Interactions in Intense Heavy Ion Beams

Conference Davidson, Ronald C ; Dorf, Mikhail A ; Kaganovich, Igor D ; ...

This paper presents a survey of the present theoretical understanding based on advanced analytical and numerical studies of collective processes and beam-plasma interactions in intense heavy ion beams for applications to ion-beam-driven high energy density physics and heavy ion fusion. The topics include: discussion of the conditions for quiescent beam propagation over long distances; and the electrostatic Harris instability and the transverse electromagnetic Weibel instability in highly anisotropic, intense one-component ion beams. In the longitudinal drift compression and transverse compression regions, collective processes associated with the interaction of the intense ion beam with a charge-neutralizing background plasma are described, includingmore »« less
Full Text Available
Resolution of any interacting-boson-model Hamiltonian into intrinsic and collective parts

Journal Article Kirson, M W ; Leviatan, A - Phys. Rev. Lett.; (United States)

The interacting-boson-model Hamiltonian is written uniquely as a sum of an intrinsic part which defines bands and a collective part which shifts, splits, and mixes these bands.
https://doi.org/10.1103/PhysRevLett.55.2846
Intrinsic and collective structure in the interacting boson model

Journal Article Leviatan, A - Ann. Phys. (N.Y.); (United States)

A general non-spherical boson basis is introduced to study the excitation modes in the interacting boson model (IBM). A prescription for construction of intrinsic states is presented. The general IBM Hamiltonian is resolved exactly into intrinsic and collective parts. The limit of large boson number is discussed analytically for spectrum and transitions. The method of analysis reveals an underlying intrinsic and collective structure closely linked with symmetry considerations. The suggested new approach seems to be adequate as a tool to obtain the physical content and normal modes in any number conserving algebraic bosonic system. copyright 1987 Academic Press, Inc.
https://doi.org/10.1016/0003-4916(87)90136-9

Similar Records