Potential Application of Rhamnolipid-Silica Nanoparticle Complex for Enhanced Oil Recovery Studied with Molecular DynamicsSimulations

Abstract:

Biosurfactants are used as a solution to the use of synthetic surfactants in Enhance Oil Recovery (EOR) process which are not safe for environment. One of the requirements for biosurfactants in EOR is having the ability to reduce the value of the interfacial tension (IFT) to a minimum of 10^-3 mN/m. To meet the requirement, the performance of biosurfactants can be improved by having it interact strongly with nanosized support material. In this study, the stability of the free monorhamnolipids (without silica) and the monorhamnolipids-silica nanoparticle complexes at the decane-water interface at 300 K was studied by in silico method. Component density analysis shows that monorhamnolipids and monorhamnolipids-silica nanoparticle complexes diffuse to the decane-water interface. Trajectory analysis of the simulation boxes showed that the complexes were more stable at the decane-water interface. Based on the interaction analysis of the hydrophilic groups as well as hydrogen bonding, the complexes stability on the interface is caused by the strong hydrogen interaction between monorhamnolipids and silica that have more stable properties at the decane-water interface. This causes the complexes are more effective in reducing the IFT of decane and water with a decrease of up to 1.6 mN/m.

• Periodical: Materials Science Forum (Volume 1061)
• Pages: 105-112
• DOI: https://doi.org/10.4028/p-c099ku
• Online since: May 2022
• Authors: Ika Keumala Fitri, Atthar Luqman Ivansyah, Rukman Hertadi*
• Keywords: Biosurfactants, Enhanced Oil Recovery, Molecular Dynamics Simulations, Nanoparticles, Rhamnolipids, Silica Nanoparticles

References

[1] S.S. Belyaev, I.A. Borzenkov, T.N. Nazina, E.P. Rozanova, I.F. Glumov, R.R. Ibatullin, M. V. Ivanov, Use of microorganisms in the biotechnology for the enhancement of oil recovery, Microbiology. 73 (2004) 590–598.

DOI: 10.1023/b:mici.0000044250.21076.0e

[2] M.S. Kamal, I.A. Hussein, AS Sultan, Review on Surfactant Flooding: Phase Behavior, Retention, IFT, and Field Applications, Energy and Fuels. 31 (2017) 7701–7720.

DOI: 10.1021/acs.energyfuels.7b00353

[3] R. Sen, Biotechnology in petroleum recovery: The microbial EOR, Prog. Energy Combust. Sci. 34 (2008) 714–724.

[4] I. Chatzis, N.R. Morrow, Correlation of Capillary Number Relationship for Sandstone., Soc. Pet. Eng. J. 24 (1984) 555–562.

DOI: 10.2118/10114-pa

[5] S. Vijayakumar, V. Saravanan, Biosurfactants-types, sources and applications, Res. J. Microbiol. 10 (2015) 181–192.

[6] H. Amani, M.M. Müller, C. Syldatk, R. Hausmann, Production of microbial rhamnolipid by Pseudomonas aeruginosa MM1011 for Ex-situ enhanced oil recovery, Appl. Biochem. Biotechnol. 170 (2013) 1080–1093.

DOI: 10.1007/s12010-013-0249-4

[7] Q. Wang, X. Fang, B. Bai, X. Liang, P.J. Shuler, W.A. Goddard, Y. Tang, Engineering bacteria for the production of rhamnolipid as an agent for enhanced oil recovery, Biotechnol. Bioeng. 98 (2007) 842–853.

DOI: 10.1002/bit.21462

[8] F.F. Habibah, R. Hertadi, A.L. Ivansyah, Y. Faozani, Sediaan bahan bionanofluida untuk diaplikasikan pada enhanced oil recovery (EOR) dan metode produksinya, P00202009815, (2020).

[9] B.A. Suleimanov, F.S. Ismailov, E.F. Veliyev, Nanofluid for enhanced oil recovery, J. Pet. Sci. Eng. 78 (2011) 431–437.

DOI: 10.1016/j.petrol.2011.06.014

[10] W. Humphrey, A. Dalke, K. Schulten, Visual Molecular Dynamics, J. Mol. Graph. 14 (1996) 33–38.

[11] B. Cherinka, B.H. Andrews, J. Sánchez-Gallego, J. Brownstein, M. Argudo-Fernández, M. Blanton, K. Bundy, A. Jones, K. Masters, D.R. Law, K. Rowlands, A.N. Weijmans, K. Westfall, R. Yan, Marvin: A tool kit for streamlined access and visualization of the SDSS-IV MaNGA data set, Astron. J. 158 (2019) 74.

DOI: 10.3847/1538-3881/ab2634

[12] Winmostar V10, X-Ability Co Ltd., Tokyo, Japan (2020).

[13] P. Hirel, Atomsk: A tool for manipulating and converting atomic data files, Comput. Phys. Commun. 197 (2015) 212–219.

DOI: 10.1016/j.cpc.2015.07.012

[14] T.G.A. Youngs, Aten - An application for the creation, editing, and visualization of coordinates for glasses, liquids, crystals, and molecules, J. Comput. Chem. 31 (2010) 639–648.

DOI: 10.1002/jcc.21359

[15] M.J. Abraham, T. Murtola, R. Schulz, S. Páll, J.C. Smith, B. Hess, E. Lindah, GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers, SoftwareX. 1-2 (2015) 19–25.

DOI: 10.1016/j.softx.2015.06.001

[16] A.K. Malde, L. Zuo, M. Breeze, M. Stroet, D. Poger, P.C. Nair, C. Oostenbrink, A.E. Mark, An Automated force field Topology Builder (ATB) and repository: Version 1.0, J. Chem. Theory Comput. 7 (2011) 4026–4037.

DOI: 10.1021/ct200196m

[17] T. Raček, O. Schindler, D. Toušek, V. Horský, K. Berka, J. Koča, R. Svobodová, Atomic charge calculator II: Web-based tool for the calculation of partial atomic charges, Nucleic Acids Res. 48 (2021) W591–W596.

DOI: 10.1093/nar/gkaa367

[18] J. Gasteiger, M. Marsili, A new model for calculating atomic charges in molecules, Tetrahedron Lett. 19 (1978) 3181–3184.

DOI: 10.1016/s0040-4039(01)94977-9

[19] A.K. Rappé, W.A. Goddard, Charge equilibration for molecular dynamics simulations, J. Phys. Chem. 95 (1991) 3358–3363.

DOI: 10.1021/j100161a070

[20] S.L. Mayo, B.D. Olafson, W.A. Goddard, DREIDING: A generic force field for molecular simulations, J. Phys. Chem. 94 (1990) 8897–8909.

DOI: 10.1021/j100389a010

[21] H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, A. Dinola, J.R. Haak, Molecular dynamics with coupling to an external bath, J. Chem. Phys. 81 (1984) 3684–3690.

DOI: 10.1063/1.448118

[22] M. Luo, L.L. Dai, Molecular dynamics simulations of surfactant and nanoparticle self-assembly at liquid-liquid interfaces, J. Phys.: Condens. Matter 19 (2007) 375109.

DOI: 10.1088/0953-8984/19/37/375109

[23] X. Wang, C. Chen, K. Binder, U. Kuhn, U. Pöschl, H. Su, Y. Cheng, Molecular dynamics simulation of the surface tension of aqueous sodium chloride: From dilute to highly supersaturated solutions and molten salt, Atmos. Chem. Phys. 18 (2018) 17077–17086.

DOI: 10.5194/acp-18-17077-2018

[24] G.A. Jeffrey, An Introduction to Hydrogen Bonding, Oxford University Press, New York, (1997).