Development of electrochemical DPD molecular simulations for oil/water partitioning of organic acids at varying pH

2017 ◽  
Vol 39 (9) ◽  
pp. 1367-1375 ◽  
Author(s):  
R. Skartlien ◽  
A. Bertheussen ◽  
S. Simon ◽  
J. Sjöblom
Keyword(s):  
Organic Acids ◽  
Molecular Simulations ◽  
Water Partitioning ◽  
Oil Water

scholarly journals Whey Protein Isolate Microgel Properties Tuned by Crosslinking with Organic Acids to Achieve Stabilization of Pickering Emulsions

Foods ◽  
2021 ◽  
Vol 10 (6) ◽  
pp. 1296
Author(s):  
Jéssica Thaís do Prado Silva ◽  
João Vitor Munari Benetti ◽  
Taís Téo de Barros Alexandrino ◽  
Odilio Benedito Garrido Assis ◽  
Jolet de Ruiter ◽  
...  
Keyword(s):  
Contact Angle ◽  
Organic Acids ◽  
Whey Protein ◽  
Physical Stability ◽  
Whey Protein Isolate ◽  
Protein Isolate ◽  
Pickering Emulsions ◽  
Food Grade ◽  
Oil Water ◽  
Coffee Oil

Whey protein isolate (WPI) can be used effectively to produce food-grade particles for stabilizing Pickering emulsions. In the present study, crosslinking of WPI microgels using organic acids (tannic and citric acids) is proposed to improve their functionality in emulsions containing roasted coffee oil. It was demonstrated that crosslinking of WPI by organic acids reduces the microgels’ size from ≈1850 nm to 185 nm and increases their contact angle compared to conventional WPI microgels, achieving values as high as 60°. This led to the higher physical stability of Pickering emulsions: the higher contact angle and smaller particle size of acid-crosslinked microgels contribute to the formation of a thinner layer of particles on the oil/water (O/W) interface that is located mostly in the water phase, thus forming an effective barrier against droplet coalescence. Particularly, emulsions stabilized by tannic acid-crosslinked WPI microgels presented neither creaming nor sedimentation up to 7 days of storage. The present work demonstrates that the functionality of these crosslinked WPI microgels can be tweaked considerably, which is an asset compared to other food-grade particles that mostly need to be used as such to comply with the clean-label policy. In addition, the applications of these particles for an emulsion are much more diverse as of the starting material.

Experimental simulation of crude oil-water partitioning behavior of BTEX compounds during a deep submarine oil spill

2017 ◽  
Vol 108 ◽  
pp. 1-8 ◽  
Author(s):  
Aprami Jaggi ◽  
Ryan W. Snowdon ◽  
Andrew Stopford ◽  
Jagoš R. Radović ◽  
Thomas B.P. Oldenburg ◽  
...  
Keyword(s):  
Crude Oil ◽  
Oil Spill ◽  
Experimental Simulation ◽  
Water Partitioning ◽  
Oil Water ◽  
Partitioning Behavior ◽  
Btex Compounds

scholarly journals Controlled Oil/Water Partitioning of Hydrophobic Substrates Extending the Bioanalytical Applications of Droplet-Based Microfluidics

2019 ◽  
Vol 91 (15) ◽  
pp. 10008-10015 ◽  
Author(s):  
Tomas Buryska ◽  
Michal Vasina ◽  
Fabrice Gielen ◽  
Pavel Vanacek ◽  
Liisa van Vliet ◽  
...  
Keyword(s):  
Water Partitioning ◽  
Oil Water ◽  
Bioanalytical Applications

Coarse-Grained Molecular Simulations to Investigate Asphaltenes at the Oil–Water Interface

2015 ◽  
Vol 29 (3) ◽  
pp. 1597-1609 ◽  
Author(s):  
Yosadara Ruiz-Morales ◽  
Oliver C. Mullins
Keyword(s):  
Molecular Simulations ◽  
Coarse Grained ◽  
Water Interface ◽  
Oil Water

Oil/Water‐Partitioning and Interfacial Behavior of Naphthenic Acids

2003 ◽  
Vol 24 (6) ◽  
pp. 789-801 ◽  
Author(s):  
Trond Erik Havre ◽  
Johan Sjöblom ◽  
Jens Emil Vindstad
Keyword(s):  
Naphthenic Acids ◽  
Interfacial Behavior ◽  
Water Partitioning ◽  
Oil Water

scholarly journals Transport of oil/water partitioning components during water injection

2021 ◽  
Vol 6 ◽  
pp. 37-42
Author(s):  
Huynh Thi Thu Huong ◽  
Nguyen Huu Quang ◽  
Le Van Son ◽  
Tran Trong Hieu
Keyword(s):  
Late Stage ◽  
Water Injection ◽  
Analytical Calculation ◽  
Water Phase ◽  
Water Flooding ◽  
Oil Saturation ◽  
Research Results ◽  
Water Partitioning ◽  
Oil Water ◽  
Interstitial Velocity

The oil/water partitioning components such as alkylphenols and aliphatic acids naturally exist in crude oil compositions at different initial concentrations of hundreds or even thousands of ppm depending on the location of the reservoir compared to the site of original rocks. During contact with sweeping injection brine, those compounds diffuse from oil phase to water phase due to oil/water partitioning behaviours. As a result, their concentration in oil contacting with water will be attenuating during water injection. Their concentration profile in water injection history contains the information related to diffusion in oil and water phase, interstitial velocity of water and oil saturation. This paper presents the research results of theoretical model and numerical model of the washed-out process of alkylphenols in the late stage of water injection. The research results have proposed approximate analytical expression for concentration of alkylphenols at the late stage of water flooding. In this regard, at the sufficient large injection volume the alkylphenol concentration attenuates exponentially and the attenuation rate depends on parameters such as partitioning coefficient, oil saturation and interstitial velocity of water and oil and diffusion coefficients. The simulation concentration results obtained from UTCHEM simulator for the 5-spot model showed a good match with analytical calculation results. The research results can be used as the basis for developing methods to assess water flooding systems as well as oil saturation. The results can also be used for study of transport of non-aqueous phase liquid (NAPL) in environmental contamination. Keywords: Residual oil saturation, waterflooding, tracer, partitioning organic compounds, enhanced oil recovery.

scholarly journals Molecular Simulations of Surface Forces and Film Rupture in Oil/Water/Surfactant Systems

Langmuir ◽  
2004 ◽  
Vol 20 (26) ◽  
pp. 11583-11593 ◽  
Author(s):  
Live Rekvig ◽  
Bjørn Hafskjold ◽  
Berend Smit
Keyword(s):  
Molecular Simulations ◽  
Surface Forces ◽  
Film Rupture ◽  
Oil Water ◽  
Surfactant Systems

scholarly journals Dissecting The Salinity-Dependence Of Wettability In Oil/Brine/Calcite System Using Molecular Simulations

2019 ◽  
Author(s):  
Mohamed Alhosani ◽  
Arjun Valiya Parambathu ◽  
Fernando Miguel Yrazu ◽  
Dilip Asthagiri ◽  
Walter Chapman
Keyword(s):  
Ionic Strength ◽  
Oil Recovery ◽  
Molecular Simulations ◽  
Water Flooding ◽  
Great Promise ◽  
Low Salinity ◽  
Complex Interactions ◽  
Salinity Water ◽  
Oil Water ◽  
Two Fluid

Low salinity water flooding has shown great promise due to its cost-effectiveness and low environmental impact for improving and sustaining oil production. It is believed that injecting water with ionic strength lower than that of the reservoir changes the reservoir from less to more water-wet and enhances oil recovery. This alteration phenomenon is not well understood, due to complex interactions between oil, water, and rock. Here we use molecular simulations to characterize the wettability of the 10.4-face of calcite in a calcite/brine/oil system, and address how wettability is altered by changing ionic strength and salt type (NaCl vs. CaCl<sub>2</sub>). Using the test area method we calculate the superficial tension of the fluids against the solid and the surface tension between the two fluid phases. As the salinity is decreased, the wetting of calcite by brine is progressively less favored, contrary to what might be expected based on low salinity flooding. However, as salinity is decreased, forming the oil-brine interface is more favored. On balance, it is the latter effect that leads to the enhanced wetting of calcite by brine in the oil-brine-calcite system, and it is suggested as an important element in the physics underlying low-salinity flooding. <br>

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