Nanoscale structure of the oil-water interface

Fukuto, M.; Ocko, B. M.; Bonthuis, D. J.; Netz, R. R.; Steinrück, H. -G.; Pontoni, D.; Kuzmenko, I.; Haddad, J.; Deutsch, M.

doi:10.1103/PhysRevLett.117.256102

Title: Nanoscale structure of the oil-water interface

Abstract

X-ray reflectivity (XR) and atomistic molecular dynamics (MD) simulations, carried out to determine the structure of the oil-water interface, provide new insight into the simplest liquid-liquid interface. For several oils (hexane, dodecane, and hexadecane) the XR shows very good agreement with a monotonic interface-normal electron density profile (EDP) broadened only by capillary waves. Similar agreement is also found for an EDP including a sub-angstrom thick electron depletion layer separating the oil and the water. The XR and MD derived depletions are much smaller than reported for the interface between solid-supported hydrophobic monolayers and water.

Authors:

Fukuto, M. ^[1]; Ocko, B. M. ^[1]; Bonthuis, D. J. ^[2]; Netz, R. R. ^[3]; Steinrück, H. -G. ^[4]; Pontoni, D. ^[5]; Kuzmenko, I. ^[6]; Haddad, J. ^[7]; Deutsch, M. ^[7]

Brookhaven National Lab. (BNL), Upton, NY (United States)
Oxford Univ., Oxford (United Kingdom)
Free Univ. Berlin, Berlin (Germany)
SLAC National Accelerator Lab., Menlo Park, CA (United States)
ESRF - The European Synchrotron, Grenoble (France)
Argonne National Lab. (ANL), Lemont, IL (United States)
Bar-Ilan Univ., Ramat-Gan (Israel)

Publication Date:: Thu Dec 15 00:00:00 EST 2016

Research Org.:: Brookhaven National Laboratory (BNL), Upton, NY (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Workforce Development for Teachers and Scientists (WDTS)

OSTI Identifier:: 1340344

Alternate Identifier(s):: OSTI ID: 1336883; OSTI ID: 1361070; OSTI ID: 1371549

Report Number(s):: BNL-112004-2016-JA
Journal ID: ISSN 0031-9007; PRLTAO; TRN: US1701140

Grant/Contract Number:: SC00112704; SC0012704; AC02-06CH11357; AC02-76SF00515

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Volume: 117; Journal Issue: 25; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; force; hydrophobicity; length scales; liquid surfaces; potentials; resolution; x-ray reflectivity

Citation Formats


                    Fukuto, M., Ocko, B. M., Bonthuis, D. J., Netz, R. R., Steinrück, H. -G., Pontoni, D., Kuzmenko, I., Haddad, J., and Deutsch, M. Nanoscale structure of the oil-water interface.  United States: N. p., 2016. 
Web.  doi:10.1103/PhysRevLett.117.256102.

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                    Fukuto, M., Ocko, B. M., Bonthuis, D. J., Netz, R. R., Steinrück, H. -G., Pontoni, D., Kuzmenko, I., Haddad, J., & Deutsch, M. Nanoscale structure of the oil-water interface.  United States.  https://doi.org/10.1103/PhysRevLett.117.256102

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                    Fukuto, M., Ocko, B. M., Bonthuis, D. J., Netz, R. R., Steinrück, H. -G., Pontoni, D., Kuzmenko, I., Haddad, J., and Deutsch, M. Thu .  
"Nanoscale structure of the oil-water interface".  United States.  https://doi.org/10.1103/PhysRevLett.117.256102.  https://www.osti.gov/servlets/purl/1340344.

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@article{osti_1340344,

  title        = {Nanoscale structure of the oil-water interface},

  author       = {Fukuto, M. and Ocko, B. M. and Bonthuis, D. J. and Netz, R. R. and Steinrück, H. -G. and Pontoni, D. and Kuzmenko, I. and Haddad, J. and Deutsch, M.},

  abstractNote = {X-ray reflectivity (XR) and atomistic molecular dynamics (MD) simulations, carried out to determine the structure of the oil-water interface, provide new insight into the simplest liquid-liquid interface. For several oils (hexane, dodecane, and hexadecane) the XR shows very good agreement with a monotonic interface-normal electron density profile (EDP) broadened only by capillary waves. Similar agreement is also found for an EDP including a sub-angstrom thick electron depletion layer separating the oil and the water. The XR and MD derived depletions are much smaller than reported for the interface between solid-supported hydrophobic monolayers and water.},

  doi          = {10.1103/PhysRevLett.117.256102},

  journal      = {Physical Review Letters},

  number       = 25,

  volume       = 117,

  place        = {United States},

  year         = {Thu Dec 15 00:00:00 EST 2016},

  month        = {Thu Dec 15 00:00:00 EST 2016}

}

Copy to clipboard

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Works referencing / citing this record:

Modulation of Hydrophobic Interaction by Mediating Surface Nanoscale Structure and Chemistry, not Monotonically by Hydrophobicity
journal, August 2018

Cui, Xin; Liu, Jing; Xie, Lei
Angewandte Chemie, Vol. 130, Issue 37
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Modulation of Hydrophobic Interaction by Mediating Surface Nanoscale Structure and Chemistry, not Monotonically by Hydrophobicity
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Cui, Xin; Liu, Jing; Xie, Lei
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Long-term deep-supercooling of large-volume water and red cell suspensions via surface sealing with immiscible liquids
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Formation and surface-stabilizing contributions to bare nanoemulsions created with negligible surface charge
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Carpenter, Andrew P.; Tran, Emma; Altman, Rebecca M.
Proceedings of the National Academy of Sciences, Vol. 116, Issue 19
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Reflectometry Reveals Accumulation of Surfactant Impurities at Bare Oil/Water Interfaces
journal, November 2019

Scoppola, Ernesto; Micciulla, Samantha; Kuhrts, Lucas
Molecules, Vol. 24, Issue 22
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Similar Records

Title: Nanoscale structure of the oil-water interface

Abstract

Citation Formats

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids journal, January 1996

Water at Hydrophobic Substrates: Curvature, Pressure, and Temperature Effects journal, May 2004

Structure and Depletion at Fluorocarbon and Hydrocarbon/Water Liquid/Liquid Interfaces journal, August 2008

How Water Meets a Hydrophobic Surface journal, December 2006

Liquid Surfaces and Interfaces: Synchrotron X-ray Methods book, September 2012

X-ray Scattering From Liquid Surfaces: Effect of Resolution † journal, March 2009

Comment on “How Water Meets a Hydrophobic Surface” journal, July 2008

Poynor et al. Reply: journal, July 2008

Interfaces and the driving force of hydrophobic assembly journal, September 2005

Width of the Hexadecane−Water Interface: A Discrepancy Resolved journal, December 2005

Noncapillary-Wave Structure at the Water-Alkane Interface journal, July 2000

How Water Meets a Very Hydrophobic Surface journal, July 2010

X-ray reflectivity study of thermal capillary waves on liquid surfaces journal, January 1994

Computational Investigation of the n- Alkane/Water Interface with Many-Body Potentials: The Effect of Chain Length and Ion Distributions journal, December 2011

Oil on troubled waters journal, February 2007

On the Origin of the Hydrophobic Water Gap: An X-ray Reflectivity and MD Simulation Study journal, May 2010

What x rays can tell us about the interfacial profile of water near hydrophobic surfaces journal, July 2013

Thermally excited capillary waves at vapor/liquid interfaces of water–alcohol mixtures journal, February 2009

Interfacial Density Profile for Fluids in the Critical Region journal, October 1965

Intrinsic Structure of Hydrophobic Surfaces: The Oil-Water Interface journal, August 2008

Reduction in the surface energy of liquid interfaces at short length scales journal, February 2000

Hydrophobicity at Small and Large Length Scales journal, June 1999

How to keep dry in water journal, May 2003

The missing term in effective pair potentials journal, November 1987

X-ray Reflectivity Study of the Water−Hexane Interface journal, March 1999

Modulation of Hydrophobic Interaction by Mediating Surface Nanoscale Structure and Chemistry, not Monotonically by Hydrophobicity journal, August 2018

Modulation of Hydrophobic Interaction by Mediating Surface Nanoscale Structure and Chemistry, not Monotonically by Hydrophobicity journal, August 2018

Long-term deep-supercooling of large-volume water and red cell suspensions via surface sealing with immiscible liquids journal, August 2018

Formation and surface-stabilizing contributions to bare nanoemulsions created with negligible surface charge journal, April 2019

Reflectometry Reveals Accumulation of Surfactant Impurities at Bare Oil/Water Interfaces journal, November 2019

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
journal, January 1996

Water at Hydrophobic Substrates: Curvature, Pressure, and Temperature Effects
journal, May 2004

Structure and Depletion at Fluorocarbon and Hydrocarbon/Water Liquid/Liquid Interfaces
journal, August 2008

How Water Meets a Hydrophobic Surface
journal, December 2006

Liquid Surfaces and Interfaces: Synchrotron X-ray Methods
book, September 2012

X-ray Scattering From Liquid Surfaces: Effect of Resolution ^†
journal, March 2009

Comment on “How Water Meets a Hydrophobic Surface”
journal, July 2008

Poynor et al. Reply:
journal, July 2008

Interfaces and the driving force of hydrophobic assembly
journal, September 2005

Width of the Hexadecane−Water Interface: A Discrepancy Resolved
journal, December 2005

Noncapillary-Wave Structure at the Water-Alkane Interface
journal, July 2000

How Water Meets a Very Hydrophobic Surface
journal, July 2010

X-ray reflectivity study of thermal capillary waves on liquid surfaces
journal, January 1994

Computational Investigation of the n- Alkane/Water Interface with Many-Body Potentials: The Effect of Chain Length and Ion Distributions
journal, December 2011

Oil on troubled waters
journal, February 2007

On the Origin of the Hydrophobic Water Gap: An X-ray Reflectivity and MD Simulation Study
journal, May 2010

What x rays can tell us about the interfacial profile of water near hydrophobic surfaces
journal, July 2013

Thermally excited capillary waves at vapor/liquid interfaces of water–alcohol mixtures
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Interfacial Density Profile for Fluids in the Critical Region
journal, October 1965

Intrinsic Structure of Hydrophobic Surfaces: The Oil-Water Interface
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Reduction in the surface energy of liquid interfaces at short length scales
journal, February 2000

Hydrophobicity at Small and Large Length Scales
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How to keep dry in water
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The missing term in effective pair potentials
journal, November 1987

X-ray Reflectivity Study of the Water−Hexane Interface
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Modulation of Hydrophobic Interaction by Mediating Surface Nanoscale Structure and Chemistry, not Monotonically by Hydrophobicity
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