Handbook of Chemistry and Physics A Ready-Reference Pocket Book of Chemical and Physical Data

Griffiths, Elisabeth

doi:10.1038/109369a0

Cited by 6 publications

(2 citation statements)

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“…The biphasic systems were set up in accordance with the typical thickness of thin brine films found in the oil reservoirs (1-10 nm) and also configurations adopted by previous researchers [4,[17][18][19]. The number of organic molecules in each slab was set to nearly match the reported densities at ambient conditions (toluene: 0.862, n-heptane: 0.679, and heptol: 0.775 g.cm À3 ) [28]. Also, the number of ions was chosen to achieve the concentrations mentioned before.…”

Section: àmentioning

confidence: 99%

How do ions contribute to brine-hydrophobic hydrocarbon Interfaces? An in silico study

Badizad

Koleini

Hartkamp

et al. 2020

Journal of Colloid and Interface Science

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Hypothesis: The saltwater-oil interface is of broad implication in geochemistry and petroleum disciplines. To date, the main focus has been on the surface contribution of polar, heavy compounds of crude oil, widely neglecting the role of non-polar hydrocarbons. However, non-polar compounds are expected to contribute to characteristics of oil-brine interfaces. Methodology: Utilizing molecular dynamics simulation, we aim to characterize ion behavior adjacent to hydrophobic organic phases. Concerning natural environments, NaCl, CaCl 2 and Na 2 SO 4 electrolytes at low (5 wt%) and high (15 wt%) concentrations were brought in contact with heptane and/or toluene which account for aliphatic and aromatic constituents of typical crude oils, respectively. The reproduced experimental data for interfacial tension, brines density and ions' diffusivities adequately verify our molecular calculations. Findings: Ions accumulate nearby the intrinsically charge-neutral oil surfaces. A disparate surfacefavoring propensity of ions causes the interfacial region to resemble an electrical layer and impose an

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Section: àmentioning

confidence: 99%

How do ions contribute to brine-hydrophobic hydrocarbon Interfaces? An in silico study

Badizad

Koleini

Hartkamp

et al. 2020

Journal of Colloid and Interface Science

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“…We use the tabulated values for the O 2 standard, H 0 = 8.7 kJ mol –1 , S 0 = 0.21 kJ mol –1 , T 0 = 298 K, P 0 = 1 atm, k B is the Boltzmann constant. T and P are the temperature and oxygen partial pressure.…”

Section: Methodsmentioning

confidence: 99%

LaMnO₃ Dopants for Efficient Thermochemical Water Splitting Identified by Density Functional Theory Calculations

Wang,

Goyal,

Zhou

et al. 2023

J. Phys. Chem. C

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Solvent Extraction of Lutetium from Different Acidic Solutions Using Organophosphorus Extractants

Tavakkoli

Aboutalebi

Seyedein

et al. 2021

Mining, Metallurgy & Exploration

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Handbook of Chemistry and Physics A Ready-Reference Pocket Book of Chemical and Physical Data

Cited by 6 publications

References 0 publications

How do ions contribute to brine-hydrophobic hydrocarbon Interfaces? An in silico study

How do ions contribute to brine-hydrophobic hydrocarbon Interfaces? An in silico study

LaMnO₃ Dopants for Efficient Thermochemical Water Splitting Identified by Density Functional Theory Calculations

Solvent Extraction of Lutetium from Different Acidic Solutions Using Organophosphorus Extractants

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Handbook of Chemistry and Physics A Ready-Reference Pocket Book of Chemical and Physical Data

Cited by 6 publications

References 0 publications

How do ions contribute to brine-hydrophobic hydrocarbon Interfaces? An in silico study

How do ions contribute to brine-hydrophobic hydrocarbon Interfaces? An in silico study

LaMnO3 Dopants for Efficient Thermochemical Water Splitting Identified by Density Functional Theory Calculations

Solvent Extraction of Lutetium from Different Acidic Solutions Using Organophosphorus Extractants

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LaMnO₃ Dopants for Efficient Thermochemical Water Splitting Identified by Density Functional Theory Calculations