Molecular Dynamics Simulations of Asphaltenes at the Oil–Water Interface: From Nanoaggregation to Thin-Film Formation

2013 ◽  
Vol 27 (4) ◽  
pp. 1838-1845 ◽  
Author(s):  
Yohei Mikami ◽  
Yunfeng Liang ◽  
Toshifumi Matsuoka ◽  
Edo S. Boek
Keyword(s):  
Thin Film ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Film Formation ◽  
Water Interface ◽  
Oil Water ◽  
Thin Film Formation ◽  
Dynamics Simulations

Molecular dynamics simulations of surfactant adsorption at oil/water interface under shear flow

Particuology ◽  
2019 ◽  
Vol 44 ◽  
pp. 36-43 ◽  
Author(s):  
Ying Ren ◽  
Qiang Zhang ◽  
Ning Yang ◽  
Ji Xu ◽  
Jialin Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Shear Flow ◽  
Molecular Dynamics Simulations ◽  
Surfactant Adsorption ◽  
Water Interface ◽  
Oil Water ◽  
Dynamics Simulations

scholarly journals Molecular Dynamics Simulations of Surfactant Functionalized Nanoparticles in the Vicinity of an Oil/Water Interface

2010 ◽  
Vol 114 (28) ◽  
pp. 12151-12157 ◽  
Author(s):  
R. J. K. Udayana Ranatunga ◽  
Robert J. B. Kalescky ◽  
Chi-cheng Chiu ◽  
Steven O. Nielsen
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Water Interface ◽  
Functionalized Nanoparticles ◽  
Oil Water ◽  
Dynamics Simulations

scholarly journals IN SILICO POTENTIAL ANALYSIS OF X6D MODEL OF PEPTIDE SURFACTANT FOR ENHANCED OIL RECOVERY

2018 ◽  
Vol 39 (2) ◽  
pp. 101-106
Author(s):  
Cut Nanda Sari ◽  
Usman Usman ◽  
Rukman Hertadi ◽  
Tegar Nurwahyu Wijaya ◽  
Leni Herlina ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Interfacial Tension ◽  
Molecular Dynamics Simulations ◽  
Enhanced Oil Recovery ◽  
Oil Recovery ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Water Interface ◽  
Oil Water ◽  
Dynamics Simulations

Peptides and their derivatives can be applied in enhanced oil recovery (EOR) due to their ability to form an emulsion with hydrophobic molecules. However, peptide research for EOR application, either theoretical or computational studies, is still limited. The purpose of this research is to analyse the potency of the X6D model of surfactant peptide for EOR by molecular dynamics simulations in oil-water interface. Molecular dynamics simulation using GROMACS Software with Martini force field can assess a peptides ability for self-assembly and emulsification on a microscopic scale. Molecular dynamics simulations combined with coarse grained models will give information about the dynamics of peptide molecules in oil-water interface and the calculation of interfacial tension value. Four designs of X6D model: F6D, L6D, V6D, and I6D are simulated on the oil-water interface. The value of interfacial tension from simulation show the trend of F6D L6D I6D V6D. The results indicate that V6D has the greatest reduction in interfacial tension and has the stability until 90C with the salinity of at least 1M NaCl.

Thin film formation of platinum nanoparticles at oil–water interface, using organoplatinum(ii) complexes, suitable for electro-oxidation of methanol

2013 ◽  
Vol 42 (34) ◽  
pp. 12364 ◽  
Author(s):  
S. Jafar Hoseini ◽  
Neda Mousavi ◽  
Mahmoud Roushani ◽  
Leila Mosaddeghi ◽  
Mehrangiz Bahrami ◽  
...  
Keyword(s):  
Thin Film ◽  
Platinum Nanoparticles ◽  
Film Formation ◽  
Water Interface ◽  
Oxidation Of Methanol ◽  
Electro Oxidation ◽  
Oil Water ◽  
Thin Film Formation
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