Skip to main content
×
Home
    • Aa
    • Aa

Understanding interfacial water and its role in practical applications using molecular simulations

  • Alberto Striolo (a1)
Abstract
Abstract

Interfacial water is believed to determine practical outcomes in systems of interest to biology, materials science, geology, and many other disciplines. In this article, recent progress in understanding interfacial water achieved using molecular simulations is reviewed. After the reliability of recent approaches is discussed, three possible research directions are described. These future developments promise to have a large impact on both fundamental science and applications of societal importance.

Copyright
Linked references
Hide All

This list contains references from the content that can be linked to their source. For a full set of references and notes please see the PDF or HTML where available.

C. Vega , J.L.F. Abascal , Phys. Chem. Chem. Phys. 13, 19663 (2011).

D. Frenkel , B. Smit , Understanding Molecular Simulation: From Algorithms to Applications (Academic Press, London, 2002).

C.G. Gray , K.E. Gubbins , C.G. Joslin , Theory of Molecular Fluids (Oxford University Press, Oxford, UK, 2011), vol. 2.

A. Ben-Naim , Y. Marcus , J. Chem. Phys. 81, 2016 (1984).

W. Kauzmann , Adv. Protein Chem. 14, 1 (1959).

J.N. Israelachvili , Intermolecular and Surface Forces 3rd ed. (Academic Press, San Diego, CA, 2011).

R.L. Baldwin , FEBS Lett. 587, 1062 (2013).

J. Wu , J.M. Prausnitz , Proc. Natl. Acad. Sci. U.S.A. 105, 9512 (2008).

H.S. Ashbaugh , L.R. Pratt , Rev. Mod. Phys. 78, 159 (2006).

H.S. Ashbaugh , L.R. Pratt , J. Phys. Chem. B 111, 9330 (2007).

M.I. Chaudhari , S.A. Holleran , H.S. Ashbaugh , L.R. Pratt , Proc. Natl. Acad. Sci. U.S.A. 110, 20557 (2013).

D. Roberts , R. Keeling , M. Tracka , C.F. van der Walle , S. Uddin , J. Warwicker , R. Curtis , Mol. Pharm. 11, 2475 (2014).

S.H. Lee , J.C. Rasaiah , J. Phys. Chem. 100, 1420 (1996).

D.E. Smith , L.X. Dang , J. Chem. Phys. 100, 3757 (1994).

L.X. Dang , T.B. Truong , B. Ginovska-Pangovska , J. Chem. Phys. 136, 126101 (2012).

L.X. Dang , X. Sun , B. Ginovska-Pangovska , H.V.R. Annapureddy , T.B. Truong , Faraday Discuss. 160, 151 (2013).

B.M. Rankin , D. Ben-Amotz , J. Am. Chem. Soc. 135, 8818 (2013).

R. Scheu , Y. Chen , H.B. de Aguiar , B.M. Rankin , D. Ben-Amotz , S. Roke , J. Am. Chem. Soc. 136, 2040 (2014).

P. Lo Nostro , B.W. Ninham , Chem. Rev. 112, 2286 (2012).

P. Jungwirth , P.S. Cremer , B. Hofmeister , Nat. Chem. 6, 261 (2014).

A. Striolo , Adsorpt. Sci. Technol. 29, 211 (2011).

A. Striolo , A.A. Chialvo , P.T. Cummings , K.E. Gubbins , Langmuir 19, 8583 (2003).

D. Argyris , N.R. Tummala , A. Striolo , D.R. Cole , J. Phys. Chem. C 112, 13587 (2008).

M.C. Gordillo , J. Marti , J. Phys. Condens. Matter 22, 284111 (2010).

D. Argyris , A. Phan , P.D. Ashby , A. Striolo , J. Phys. Chem. C 117, 10433 (2013).

J.C. Catalano , Geochim. Cosmochim. Acta 75, 2062 (2011).

J.C. Catalano , J. Phys. Chem. C 114, 6624 (2010).

A. Phan , T.A. Ho , D.R. Cole , A. Striolo , J. Phys. Chem. C 116, 15962 (2012).

J. Wang , A.G. Kalinichev , R.J. Kirkatrick , J. Phys. Chem. C 113, 11077 (2009).

G.A. Waychunas , Science 344, 1094 (2014).

D. Lis , E.H.G. Backus , J. Hunger , S.H. Parekh , M. Bonn , Science 344, 1138 (2014).

D. Argyris , P.D. Ashby , A. Striolo , ACS Nano 5, 2215 (2011).

R.M. Elder , A. Jayaraman , Soft Matter 9, 11521 (2013).

J. Wang , D. Bratko , A. Luzar , Proc. Natl. Acad. Sci. U.S.A. 108, 6734 (2011).

T.A. Ho , D.V. Papavassiliou , L.L. Lee , A. Striolo , Proc. Natl. Acad. Sci. U.S.A. 108, 16170 (2011).

S.N. Jamadagni , R. Godawat , S. Garde , Annu. Rev. Chem. Biomol. Eng. 2, 147 (2011).

S. Garde , A.J. Patel , Proc. Natl. Acad. Sci. U.S.A. 108, 16491 (2011).

A.J. Patel , P. Varilly , S.N. Jamadagni , H. Acharya , S. Garde , D. Chandler , Proc. Natl. Acad. Sci. U.S.A. 108, 17678 (2011).

A.J. Patel , P. Varilly , D. Chandler , S. Garde , J. Stat. Phys. 145, 265 (2011).

S.N. Jamadagni , R. Godawat , S. Garde , Langmuir 25, 13092 (2009).

S. Vembanur , A.J. Patel , S. Sarupria , S. Garde , J. Phys. Chem. B 117, 10261 (2013).

J. Rafiee , X. Mi , H. Gullapalli , A.V. Thomas , F. Yavari , Y.F. Shi , P.M. Ajayan , N.A. Koratkar , Nat. Mater. 11, 217 (2012).

C.-J. Shih , M.S. Strano , D. Blankschtein , Nat. Mater. 12, 866 (2013).

S. Sharma , P.G. Debenedetti , Proc. Natl. Acad. Sci. U.S.A. 109, 4365 (2012).

A.L. Ferguson , N. Giovambattista , P.J. Rossky , A.Z. Panagiotopoulos , P.G. Debenedetti , J. Chem. Phys. 137, 144501 (2012).

S. Sharma , P.G. Debenedetti , J. Phys. Chem. B 116, 13282 (2012).

S. Lin , C.-J. Shih , M.S. Strano , D. Blankschtein , J. Am. Chem. Soc. 133, 12810 (2011).

C.-J. Shih , S. Lin , M.S. Strano , D. Blankschtein , J. Am. Chem. Soc. 132, 14638 (2010).

A. Phan , D.R. Cole , A. Striolo , Langmuir 30, 8066 (2014).

K.B. Daly , J.B. Benziger , P.G. Debenedetti , A.Z. Panagiotopoulos , J. Phys. Chem. B 117, 12649 (2013).

F. Fornasiero , F. Krull , J.M. Prausnitz , C.J. Radke , Biomaterials 26, 5704 (2005).

A. Yethiraj , A. Striolo , J. Phys. Chem. Lett. 4, 687 (2013).

A. Striolo , K.E. Gubbins , T.D. Burchell , J.M. Simonson , D.R. Cole , M.S. Gruszkiewicz , A.A. Chialvo , P.T. Cummings , Langmuir 21, 9457 (2005).

N. Giovambattista , P.J. Rossky , P.G. Debenedetti , Annu. Rev. Phys. Chem. 63, 179 (2012).

A. Phan , D.R. Cole , A. Striolo , J. Phys. Chem. C 118, 4860 (2014).

S.N. Chakraborty , L.D. Gelb , J. Phys. Chem. B 116, 2183 (2012).

M.A. Shannon , P.W. Bohn , M. Elimelech , J.G. Georgiadis , B.J. Marinas , A.M. Mayes , Nature 452, 301 (2008).

J.M. Tour , C. Kittrell , V.L. Colvin , Nat. Mater. 9, 871 (2010).

D. Cohen-Tanugi , J.C. Grossman , Nano Lett. 12, 3602 (2012).

D. Konatham , J. Yu , T.A. Ho , A. Striolo , Langmuir 29, 11884 (2013).

C. Merlet , C. Péan , B. Rotenberg , P.A. Madden , B. Daffos , P.L. Taberna , P. Simon , M. Salanne , Nat. Commun. 4, 2701 (2013).

R.K. Kalluri , M.M. Biener , M.E. Suss , M.D. Merrill , M. Stadermann , J.D. Santiago , T.F. Baumann , J. Biener , A. Striolo , Phys. Chem. Chem. Phys. 15, 2309 (2013).

P.H.R. Alijó , F.W. Tavares , E.C. Biscaia Jr., A.R. Secchi , Fluid Phase. Equilib. 362, 177 (2014).

Recommend this journal

Email your librarian or administrator to recommend adding this journal to your organisation's collection.

MRS Bulletin
  • ISSN: 0883-7694
  • EISSN: 1938-1425
  • URL: /core/journals/mrs-bulletin
Please enter your name
Please enter a valid email address
Who would you like to send this to? *
×

Keywords:

Metrics

Full text views

Total number of HTML views: 5
Total number of PDF views: 31 *
Loading metrics...

Abstract views

Total abstract views: 164 *
Loading metrics...

* Views captured on Cambridge Core between September 2016 - 20th September 2017. This data will be updated every 24 hours.