Self-Assembly of Silica Nanoparticles at Water–Hydrocarbon Interfaces: Insights from In Operando Small-Angle X-ray Scattering Measurements and Molecular Dynamics Simulations
Abstract
To achieve tunable controls on the interactions of siliceous materials in subsurface environments bearing water and hydrocarbons, it is essential to determine the influence of hydrocarbon–water interfaces on the self-assembly of the silica particles. The hydrophilic silica particle have a tendency to aggregate on the water front of the interface. Self-assembly of silica nanoparticles proceeds via the migration of these nanoparticles to the water–hydrocarbon interface followed by aggregation at the interface. Fractal-like morphologies of assembled silica nanoparticles at water–hydrocarbon interfaces are observed. Rapid assembly of the hydrophilic silica nanoparticles at water–hydrocarbon interfaces corresponds to an overall reduction in the surface tension of water–toluene and water–heptane systems. These studies demonstrate the silica aggregation that is the precursor of silica polymerization, or nucleation and growth is influenced by the presence of hydrocarbons in subsurface geologic environments. These insights were derived from in operando ultrasmall and small-angle X-ray scattering (USAXS/SAXS) measurements, cryo-scanning electron microscopy (Cryo-SEM) imaging, and classical molecular dynamics simulations. As a result, these studies are intended to inform current and future efforts aimed at tuning silica reactivity in subsurface geologic environments to enhance permeability, the design and use of silica-based proppants to enhance fractures, and the development of effective strategies tomore »
- Authors:
-
- Cornell Univ., Ithaca, NY (United States)
- Argonne National Lab. (ANL), Lemont, IL (United States)
- Publication Date:
- Research Org.:
- Univ. of Utah, Salt Lake City, UT (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1721723
- Alternate Identifier(s):
- OSTI ID: 1797955
- Grant/Contract Number:
- SC0019285; AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Energy and Fuels
- Additional Journal Information:
- Journal Volume: 34; Journal Issue: 10; Journal ID: ISSN 0887-0624
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 42 ENGINEERING; Self organization; Emulsions; Hydrocarbons; Interfaces; Nanoparticles; MD simulations; interfacial tension
Citation Formats
Mohammed, Sohaib, Asgar, Hassnain, Kuzmenko, Ivan, and Gadikota, Greeshma. Self-Assembly of Silica Nanoparticles at Water–Hydrocarbon Interfaces: Insights from In Operando Small-Angle X-ray Scattering Measurements and Molecular Dynamics Simulations. United States: N. p., 2020.
Web. doi:10.1021/acs.energyfuels.0c02759.
Mohammed, Sohaib, Asgar, Hassnain, Kuzmenko, Ivan, & Gadikota, Greeshma. Self-Assembly of Silica Nanoparticles at Water–Hydrocarbon Interfaces: Insights from In Operando Small-Angle X-ray Scattering Measurements and Molecular Dynamics Simulations. United States. https://doi.org/10.1021/acs.energyfuels.0c02759
Mohammed, Sohaib, Asgar, Hassnain, Kuzmenko, Ivan, and Gadikota, Greeshma. Wed .
"Self-Assembly of Silica Nanoparticles at Water–Hydrocarbon Interfaces: Insights from In Operando Small-Angle X-ray Scattering Measurements and Molecular Dynamics Simulations". United States. https://doi.org/10.1021/acs.energyfuels.0c02759. https://www.osti.gov/servlets/purl/1721723.
@article{osti_1721723,
title = {Self-Assembly of Silica Nanoparticles at Water–Hydrocarbon Interfaces: Insights from In Operando Small-Angle X-ray Scattering Measurements and Molecular Dynamics Simulations},
author = {Mohammed, Sohaib and Asgar, Hassnain and Kuzmenko, Ivan and Gadikota, Greeshma},
abstractNote = {To achieve tunable controls on the interactions of siliceous materials in subsurface environments bearing water and hydrocarbons, it is essential to determine the influence of hydrocarbon–water interfaces on the self-assembly of the silica particles. The hydrophilic silica particle have a tendency to aggregate on the water front of the interface. Self-assembly of silica nanoparticles proceeds via the migration of these nanoparticles to the water–hydrocarbon interface followed by aggregation at the interface. Fractal-like morphologies of assembled silica nanoparticles at water–hydrocarbon interfaces are observed. Rapid assembly of the hydrophilic silica nanoparticles at water–hydrocarbon interfaces corresponds to an overall reduction in the surface tension of water–toluene and water–heptane systems. These studies demonstrate the silica aggregation that is the precursor of silica polymerization, or nucleation and growth is influenced by the presence of hydrocarbons in subsurface geologic environments. These insights were derived from in operando ultrasmall and small-angle X-ray scattering (USAXS/SAXS) measurements, cryo-scanning electron microscopy (Cryo-SEM) imaging, and classical molecular dynamics simulations. As a result, these studies are intended to inform current and future efforts aimed at tuning silica reactivity in subsurface geologic environments to enhance permeability, the design and use of silica-based proppants to enhance fractures, and the development of effective strategies to control silica-based scaling behavior in subsurface reservoirs.},
doi = {10.1021/acs.energyfuels.0c02759},
journal = {Energy and Fuels},
number = 10,
volume = 34,
place = {United States},
year = {Wed Sep 23 00:00:00 EDT 2020},
month = {Wed Sep 23 00:00:00 EDT 2020}
}
Works referenced in this record:
Scale Prediction for Oil and Gas Production
journal, February 2012
- Kan, Amy T.; Tomson, Mason B.
- SPE Journal, Vol. 17, Issue 02
Scale formation and control in oil and gas fields: A review
journal, May 2016
- Li, Jianbo; Tang, Mingjin; Ye, Zhengrong
- Journal of Dispersion Science and Technology, Vol. 38, Issue 5
Oilfield scale formation and chemical removal: A review
journal, December 2018
- Kamal, Muhammad Shahzad; Hussein, Ibnelwaleed; Mahmoud, Mohamed
- Journal of Petroleum Science and Engineering, Vol. 171
Permeability Changes Resulting from Quartz Precipitation and Dissolution around Upper Crustal Intrusions
journal, July 2018
- Scott, Samuel W.; Driesner, Thomas
- Geofluids, Vol. 2018
Evidence for SiO 2 -NaCl complexing in H 2 O-NaCl solutions at high pressure and temperature
journal, September 2015
- Newton, R. C.; Manning, C. E.
- Geofluids, Vol. 16, Issue 2
Silica Precipitation in Fractures and the Evolution of Permeability in Hydrothermal Upflow Zones
journal, April 1993
- Lowell, R. P.; Van Cappellen, P.; Germanovich, L. N.
- Science, Vol. 260, Issue 5105
Silica Precipitation in Acidic Solutions: Mechanism, pH Effect, and Salt Effect
journal, June 2010
- Gorrepati, Elizabeth A.; Wongthahan, Pattanapong; Raha, Sasanka
- Langmuir, Vol. 26, Issue 13
Development of dummy molecularly imprinted based on functionalized silica nanoparticles for determination of acrylamide in processed food by matrix solid phase dispersion
journal, November 2016
- Arabi, Maryam; Ghaedi, Mehrorang; Ostovan, Abbas
- Food Chemistry, Vol. 210
Pickering Emulsions for Food Applications: Background, Trends, and Challenges
journal, April 2015
- Berton-Carabin, Claire C.; Schroën, Karin
- Annual Review of Food Science and Technology, Vol. 6, Issue 1
Mesoporous Silica Nanoparticles: Synthesis, Biocompatibility and Drug Delivery
journal, February 2012
- Tang, Fangqiong; Li, Linlin; Chen, Dong
- Advanced Materials, Vol. 24, Issue 12
Mesoporous silica nanoparticles as controlled release drug delivery and gene transfection carriers
journal, August 2008
- Slowing, I.; Vivero-Escoto, J.; Wu, C.
- Advanced Drug Delivery Reviews, Vol. 60, Issue 11, p. 1278-1288
Solid Nanoparticles that Catalyze Biofuel Upgrade Reactions at the Water/Oil Interface
journal, December 2009
- Crossley, S.; Faria, J.; Shen, M.
- Science, Vol. 327, Issue 5961
Phase-Selective Catalysis in Emulsions Stabilized by Janus Silica-Nanoparticles
journal, October 2010
- Faria, Jimmy; Ruiz, M. Pilar; Resasco, Daniel E.
- Advanced Synthesis & Catalysis, Vol. 352, Issue 14-15
Silica nanoparticles as carriers of antifouling ligands for PVDF ultrafiltration membranes
journal, April 2013
- Wu, Hao; Mansouri, Jaleh; Chen, Vicki
- Journal of Membrane Science, Vol. 433
Fabrication of a novel thin-film nanocomposite (TFN) membrane containing MCM-41 silica nanoparticles (NPs) for water purification
journal, December 2012
- Yin, Jun; Kim, Eun-Sik; Yang, John
- Journal of Membrane Science, Vol. 423-424
The impact of silica nanoparticles on the performance of polymer solution in presence of salts in polymer flooding for heavy oil recovery
journal, May 2014
- Maghzi, Ali; Kharrat, Riyaz; Mohebbi, Ali
- Fuel, Vol. 123
Reducing surfactant adsorption on rock by silica nanoparticles for enhanced oil recovery
journal, May 2017
- Wu, Yining; Chen, Wenxia; Dai, Caili
- Journal of Petroleum Science and Engineering, Vol. 153
Nanofluid Enhanced Oil Recovery Using Hydrophobically Associative Zwitterionic Polymer-Coated Silica Nanoparticles
journal, July 2017
- Choi, Sang Koo; Son, Han Am; Kim, Hyun Tae
- Energy & Fuels, Vol. 31, Issue 8
Polymer-coated nanoparticles for enhanced oil recovery
journal, March 2014
- ShamsiJazeyi, Hadi; Miller, Clarence A.; Wong, Michael S.
- Journal of Applied Polymer Science, Vol. 131, Issue 15
Molecular Dynamics Simulation of Nanoparticle Self-Assembly at a Liquid−Liquid Interface
journal, July 2006
- Luo, Mingxiang; Mazyar, Oleg A.; Zhu, Qing
- Langmuir, Vol. 22, Issue 14
Molecular Dynamics Simulations of Surfactant Functionalized Nanoparticles in the Vicinity of an Oil/Water Interface
journal, June 2010
- Udayana Ranatunga, R. J. K.; Kalescky, Robert J. B.; Chiu, Chi-cheng
- The Journal of Physical Chemistry C, Vol. 114, Issue 28
Nanoparticle Assembly and Transport at Liquid-Liquid Interfaces
journal, January 2003
- Lin, Y.; Skaff, H.; Emrick, T.
- Science, Vol. 299, Issue 5604, p. 226-229
Packing, Flipping, and Buckling Transitions in Compressed Monolayers of Ellipsoidal Latex Particles
journal, June 2006
- Basavaraj, M. G.; Fuller, G. G.; Fransaer, J.
- Langmuir, Vol. 22, Issue 15
Self-assembly of nanoparticles at interfaces
journal, January 2007
- Böker, Alexander; He, Jinbo; Emrick, Todd
- Soft Matter, Vol. 3, Issue 10
Fabricating colloidal particles with photolithography and their interactions at an air-water interface
journal, July 2000
- Brown, A. B. D.; Smith, C. G.; Rennie, A. R.
- Physical Review E, Vol. 62, Issue 1
Adsorption of surface functionalized silica nanoparticles onto mineral surfaces and decane/water interface
journal, October 2012
- Metin, Cigdem O.; Baran, Jimmie R.; Nguyen, Quoc P.
- Journal of Nanoparticle Research, Vol. 14, Issue 11
Emulsions stabilized by the interaction of silica nanoparticles and palmitic acid at the water–hexane interface
journal, October 2014
- Santini, Eva; Guzmán, Eduardo; Ferrari, Michele
- Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 460
Synergistic Interaction in Emulsions Stabilized by a Mixture of Silica Nanoparticles and Cationic Surfactant
journal, March 2007
- Binks, Bernard P.; Rodrigues, Jhonny A.; Frith, William J.
- Langmuir, Vol. 23, Issue 7
Oil-in-Water Emulsions Stabilized by Highly Charged Polyelectrolyte-Grafted Silica Nanoparticles †
journal, October 2005
- Saleh, Navid; Sarbu, Traian; Sirk, Kevin
- Langmuir, Vol. 21, Issue 22
Hydrophilic Silica Nanoparticles at the PDMS Droplet−Water Interface
journal, April 2003
- Simovic, Spomenka; Prestidge, Clive A.
- Langmuir, Vol. 19, Issue 9
Stabilization of Carbon Dioxide-in-Water Emulsions with Silica Nanoparticles
journal, September 2004
- Dickson, Jasper L.; Binks, Bernard P.; Johnston, Keith P.
- Langmuir, Vol. 20, Issue 19
Contact Angles of Colloid Silica and Gold Particles at Air−Water and Oil−Water Interfaces Determined with the Gel Trapping Technique
journal, October 2004
- Cayre, Olivier J.; Paunov, Vesselin N.
- Langmuir, Vol. 20, Issue 22
Understanding the effect of different size silica nanoparticles and SDS surfactant mixtures on interfacial tension of n-hexane–water
journal, December 2016
- Saien, Javad; Bahrami, Mahdis
- Journal of Molecular Liquids, Vol. 224
Size-dependent properties of silica nanoparticles for Pickering stabilization of emulsions and foams
journal, March 2016
- Kim, Ijung; Worthen, Andrew J.; Johnston, Keith P.
- Journal of Nanoparticle Research, Vol. 18, Issue 4
Nanoparticle stabilized oil in water emulsions: A critical review
journal, April 2018
- Arab, Danial; Kantzas, Apostolos; Bryant, Steven L.
- Journal of Petroleum Science and Engineering, Vol. 163
Nanoparticle silica-stabilised oil-in-water emulsions: improving emulsion stability
journal, February 2005
- Binks, Bernard P.; Whitby, Catherine P.
- Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 253, Issue 1-3
Enhanced Stabilization of Emulsions Due to Surfactant-Induced Nanoparticle Flocculation
journal, July 2007
- Binks, Bernard P.; Rodrigues, Jhonny A.
- Langmuir, Vol. 23, Issue 14
Thermal stability of oil-in-water Pickering emulsion in the presence of nanoparticle, surfactant, and polymer
journal, February 2015
- Sharma, Tushar; Kumar, G. Suresh; Chon, Bo Hyun
- Journal of Industrial and Engineering Chemistry, Vol. 22
Amphiphilic Silica Nanoparticles at the Decane−Water Interface: Insights from Atomistic Simulations
journal, May 2011
- Fan, Heng; Resasco, Daniel E.; Striolo, Alberto
- Langmuir, Vol. 27, Issue 9
Functionalized Silica Nanoparticles within Multicomponent Oil/Brine Interfaces: A Study in Molecular Dynamics
journal, March 2016
- de Lara, Lucas S.; Rigo, Vagner A.; Miranda, Caetano R.
- The Journal of Physical Chemistry C, Vol. 120, Issue 12
Ultra-small-angle X-ray scattering at the Advanced Photon Source
journal, April 2009
- Ilavsky, Jan; Jemian, Pete R.; Allen, Andrew J.
- Journal of Applied Crystallography, Vol. 42, Issue 3
Ultra-Small-Angle X-ray Scattering Instrument at the Advanced Photon Source: History, Recent Development, and Current Status
journal, October 2012
- Ilavsky, J.; Zhang, F.; Allen, A. J.
- Metallurgical and Materials Transactions A, Vol. 44, Issue 1
Irena : tool suite for modeling and analysis of small-angle scattering
journal, February 2009
- Ilavsky, Jan; Jemian, Peter R.
- Journal of Applied Crystallography, Vol. 42, Issue 2
Designing CO 2 -Responsive Multifunctional Nanoscale Fluids with Tunable Hydrogel Behavior for Subsurface Energy Recovery
journal, June 2019
- Asgar, Hassnain; Ilavsky, Jan; Gadikota, Greeshma
- Energy & Fuels, Vol. 33, Issue 7
Relating Structural and Microstructural Evolution to the Reactivity of Cellulose and Lignin during Alkaline Thermal Treatment with Ca(OH) 2 for Sustainable Energy Production Integrated with CO 2 Capture
journal, January 2019
- Asgar, Hassnain; Mohammed, Sohaib; Kuzmenko, Ivan
- ACS Sustainable Chemistry & Engineering, Vol. 7, Issue 5
In Situ Angstrom-to-Micrometer Characterization of the Structural and Microstructural Changes in Kaolinite on Heating Using Ultrasmall-Angle, Small-Angle, and Wide-Angle X-ray Scattering (USAXS/SAXS/WAXS)
journal, October 2017
- Gadikota, Greeshma; Zhang, Fan; Allen, Andrew
- Industrial & Engineering Chemistry Research, Vol. 56, Issue 41
Connecting the Morphological and Crystal Structural Changes during the Conversion of Lithium Hydroxide Monohydrate to Lithium Carbonate Using Multi-Scale X-ray Scattering Measurements
journal, September 2017
- Gadikota, Greeshma
- Minerals, Vol. 7, Issue 9
Towards understanding the microstructural and structural changes in natural hierarchical materials for energy recovery: In-operando multi-scale X-ray scattering characterization of Na- and Ca-montmorillonite on heating to 1150 °C
journal, May 2017
- Gadikota, Greeshma; Zhang, Fan; Allen, Andrew J.
- Fuel, Vol. 196
Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field
journal, January 2004
- Cygan, Randall T.; Liang, Jian-Jie; Kalinichev, Andrey G.
- The Journal of Physical Chemistry B, Vol. 108, Issue 4
The missing term in effective pair potentials
journal, November 1987
- Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P.
- The Journal of Physical Chemistry, Vol. 91, Issue 24
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
journal, January 1996
- Jorgensen, William L.; Maxwell, David S.; Tirado-Rives, Julian
- Journal of the American Chemical Society, Vol. 118, Issue 45
A molecular dynamics method for simulations in the canonical ensemble
journal, June 1984
- Nosé, Shūichi
- Molecular Physics, Vol. 52, Issue 2
Canonical dynamics: Equilibrium phase-space distributions
journal, March 1985
- Hoover, William G.
- Physical Review A, Vol. 31, Issue 3
Strain fluctuations and elastic constants
journal, March 1982
- Parrinello, M.; Rahman, A.
- The Journal of Chemical Physics, Vol. 76, Issue 5
Particle mesh Ewald: An N ⋅log( N ) method for Ewald sums in large systems
journal, June 1993
- Darden, Tom; York, Darrin; Pedersen, Lee
- The Journal of Chemical Physics, Vol. 98, Issue 12
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
journal, September 2015
- Abraham, Mark James; Murtola, Teemu; Schulz, Roland
- SoftwareX, Vol. 1-2
The influence of CO2 on the structure of confined asphaltenes in calcite nanopores
journal, January 2019
- Mohammed, Sohaib; Gadikota, Greeshma
- Fuel, Vol. 236
The role of calcite and silica interfaces on the aggregation and transport of asphaltenes in confinement
journal, January 2019
- Mohammed, Sohaib; Gadikota, Greeshma
- Journal of Molecular Liquids, Vol. 274
Dynamic Wettability Alteration of Calcite, Silica and Illite Surfaces in Subsurface Environments: A Case Study of Asphaltene Self-Assembly at Solid Interfaces
journal, March 2020
- Mohammed, Sohaib; Gadikota, Greeshma
- Applied Surface Science, Vol. 505
The Effect of Hydration on the Structure and Transport Properties of Confined Carbon Dioxide and Methane in Calcite Nanopores
journal, August 2018
- Mohammed, Sohaib; Gadikota, Greeshma
- Frontiers in Energy Research, Vol. 6
CO2-Induced displacement and diffusive transport of shale geofluids in silica nanopores of varying sizes
journal, July 2019
- Mohammed, Sohaib; Gadikota, Greeshma
- Journal of CO2 Utilization, Vol. 32
Exploring the Role of Inorganic and Organic Interfaces on CO 2 and CH 4 Partitioning: Case Study of Silica, Illite, Calcite, and Kerogen Nanopores on Gas Adsorption and Nanoscale Transport Behaviors
journal, February 2020
- Mohammed, Sohaib; Gadikota, Greeshma
- Energy & Fuels, Vol. 34, Issue 3
Small Angle X-ray Scattering for Nanoparticle Research
journal, April 2016
- Li, Tao; Senesi, Andrew J.; Lee, Byeongdu
- Chemical Reviews, Vol. 116, Issue 18
Oil-Water Interface Templating of Mesoporous Macroscale Structures
journal, August 1996
- Schacht, S.; Huo, Q.; Voigt-Martin, I. G.
- Science, Vol. 273, Issue 5276
Preparation of Hard Mesoporous Silica Spheres
journal, January 1997
- Huo, Qisheng; Feng, Jianglin; Schüth, Ferdi
- Chemistry of Materials, Vol. 9, Issue 1
Synthesis of Oriented Zeolite Membranes at the Interface between Two Fluid Phases
journal, August 1997
- Tricoli, V.; Sefcik, J.; McCormick, A. V.
- Langmuir, Vol. 13, Issue 16
Simple Method to Produce Janus Colloidal Particles in Large Quantity
journal, November 2006
- Hong, Liang; Jiang, Shan; Granick, Steve
- Langmuir, Vol. 22, Issue 23
Properties of Fatty Amine–Silica Nanoparticle Interfacial Layers at the Hexane–Water Interface
journal, January 2012
- Whitby, Catherine P.; Fornasiero, Daniel; Ralston, John
- The Journal of Physical Chemistry C, Vol. 116, Issue 4
Nanoparticle Assembly at Fluid Interfaces: Structure and Dynamics
journal, January 2005
- Lin, Yao; Böker, Alexander; Skaff, Habib
- Langmuir, Vol. 21, Issue 1
Nanoparticles Adsorbed at the Water/Oil Interface: Coverage and Composition Effects on Structure and Diffusion
journal, December 2012
- Luu, Xuan-Cuong; Yu, Jing; Striolo, Alberto
- Langmuir, Vol. 29, Issue 24
Influence of Particle Wettability on the Type and Stability of Surfactant-Free Emulsions †
journal, November 2000
- Binks, B. P.; Lumsdon, S. O.
- Langmuir, Vol. 16, Issue 23
Assembly of Nanoparticles at Liquid Interfaces: Crowding and Ordering
journal, March 2014
- Schwenke, Konrad; Isa, Lucio; Del Gado, Emanuela
- Langmuir, Vol. 30, Issue 11
Nanoparticle effects on the water-oil interfacial tension
journal, November 2012
- Fan, Heng; Striolo, Alberto
- Physical Review E, Vol. 86, Issue 5
Molecular dynamics study of nanoparticles and non-ionic surfactant at an oil–water interface
journal, January 2011
- Ranatunga, R. J. K. Udayana; Nguyen, Chuong T.; Wilson, Blake A.
- Soft Matter, Vol. 7, Issue 15