Molecular Modeling of Phosphonate Molecules onto Barium Sulfate Terraced Surfaces

QR Code

Molecular Modeling of Phosphonate Molecules onto Barium Sulfate Terraced Surfaces

The adsorption of phosphonate molecules onto mineral surfaces is of interest due to their use as scale inhibitors. Molecular modeling is an important tool that can aid the fundamental understanding of how these inhibitors operate. This paper presents an empirical molecular mechanics study of the ad...

Full description

Bibliographic Details
Main Authors:	Jones, Franca, Richmond, William, Rohl, Andrew
Format:	Journal Article
Published:	American Chemical Society 2006
Online Access:	http://hdl.handle.net/20.500.11937/41337

Similar Items

Can macrocyclic phosphonate molecules inhibit barium sulfate crystallization?
by: Radomirovic, T., et al.
Published: (2019)

Investigation into the effect of phosphonate inhibitors on barium sulfate precipitation
by: Jones, Franca, et al.
Published: (2002)

The role of phosphonate speciation on the inhibition of barium sulfate precipitation
by: Jones, Franca, et al.
Published: (2003)

Understanding barium sulfate precipitation onto stainless steel
by: Jones, Franca, et al.
Published: (2008)

The interaction of EDTA with barium sulfate
by: Jones, Franca, et al.
Published: (2007)

Effect of Lanthanum on the Crystal Growth of Barium Sulfate
by: Bunney, K., et al.
Published: (2014)

Growth modification of hematite by phosphonate additives
by: Aschauer, U., et al.
Published: (2008)

Investigation into the effects of phosphonic inhibitors on the formation of calcium sulfate scales
by: Hoang, T., et al.
Published: (2011)

Understanding the mechanism by which nitrilotriacetic acid interacts with precipitating barium sulfate
by: Jones, Franca, et al.
Published: (2006)

Barium Sulfate Crystallization from Synthetic Seawater
by: Boon, Matthew, et al.
Published: (2016)

The impact of oxalate ions on barium sulfate crystallization
by: Jones, Franca, et al.
Published: (2018)

The impact of sulfite ions on barium sulfate crystallization
by: Jones, Franca, et al.
Published: (2019)

Effect of Solution Silicate on the Precipitation of Barium Sulfate
by: Jones, Franca, et al.
Published: (2012)

The many roles of mellitic acid during barium sulfate crystallization
by: Boon, M., et al.
Published: (2015)

Impact of tunable oligophosphonates on barium sulfate crystallization
by: Ogden, Mark, et al.
Published: (2014)

Anomalous behaviour within a systematic series of barium sulfate growth modifiers
by: Jones, Franca, et al.
Published: (2001)

Barium sulfate crystallization in non-aqueous solvent
by: Fillingham, Ryan, et al.
Published: (2021)

Rod-shaped barium sulfate particles from a completely inorganic system
by: Radomirovic, Tomoko, et al.
Published: (2011)

Understanding the Kinetics of Barium Sulfate Precipitation from Water and Water-Methanol Solutions
by: Jones, Franca, et al.
Published: (2008)

The effect of phosphonate-based growth modifiers on the morphology of hematite nanoparticles formed via acid hydrolysis of ferric chloride solutions
by: Jones, Franca, et al.
Published: (2003)

Spontaneous formation of barium sulfate crystals at liquid-liquid interfaces
by: Ghaheri, N., et al.
Published: (2022)

Barium sulfate crystallization dependence on upper rim calix[4]arene functional groups
by: Baynton, A., et al.
Published: (2012)

Phosphonate additives do not always inhibit crystallization
by: Baynton, A., et al.
Published: (2010)

Empirical molecular modelling of crystal growth modifiers
by: Jones, Franca, et al.
Published: (2005)

Barium Sulfate Crystallization in the Presence of variable Chain Length Aminomethylenetetraphosphonates and cations (Na+ or Zn2+)
by: Barouda, E., et al.
Published: (2007)

Using Molecular Modelling to Understand and Predict the Impact of Organic Additives as Crystal Growth Modifiers
by: Jones, Franca, et al.
Published: (2020)

Barium sulfate scale formation in oil reservoir during water injection at high-barium formation water
by: Merdhah, Amer, et al.
Published: (2007)

Small molecules induce mesocrystal formation: nanoparticle aggregation directed by self-assembling calixarenes
by: Baynton, A., et al.
Published: (2010)

Erratum: Barium sulfate crystallization dependence on upper rim calix[4] arene functional groups (CrystEngComm (2012) 14 (1057-1062) (DOI: 10.1039/C2CE06083J))
by: Baynton, A., et al.
Published: (2014)

Determining the Adsorption Free Energies of Small Organic Molecules and Intrinsic Ions at the Terrace and Steps of Calcite
by: Aufort, Julie, et al.
Published: (2022)

Template-assisted crystallization of sulfates onto calcite: Implications for the prevention of salt damage
by: Ruiz-Agudo, E., et al.
Published: (2013)

Mechanisms of Dye Incorporation into Potassium Sulfate: Computational and Experimental Studies
by: Carter, Damien, et al.
Published: (2007)

Adelaide terrace
by: Ashe, Katherine
Published: (2016)

Nitrate uptake by p-phosphonic acid calix[8]arene stabilized graphene
by: Eroglu, Ela, et al.
Published: (2013)

Ab Initio Molecular Dynamics Simulations of (101) Surfaces of Potassium Dihydrogenphosphate
by: Carter, Damien, et al.
Published: (2011)

p-Phosphonated Calix[n]arene Stabilizes Superparamagnetic Nanoparticles for Nitrate and Phosphate Uptake
by: D'Alonzo, N., et al.
Published: (2017)

Stabilization of Aragonite: Role of Mg2+ and Other Impurity Ions
by: Boon, Matthew, et al.
Published: (2020)

The interstellar gas-phase formation of CO2 - Assisted or not by water molecules?
by: Rohl, Andrew, et al.
Published: (2006)

Characterization of molecular interactions of small molecules with model cell membranes
by: Martinotti, Carlo
Published: (2021)

Linking Additive Structures to Nanoparticle Properties
by: Richmond, William, et al.
Published: (2005)