Study of Structural Properties in Complex Fluids by Addition of Surfactants Using DPD Simulation
In this work we study the tertiary structure of ionic and surfactant when the pH in the system is modified using electrostatic dissipative particle dynamics simulations (DPD). The dependence with pH and kind of surfactant is presented. Our simulations rep
- PDF / 335,032 Bytes
- 6 Pages / 439.37 x 666.142 pts Page_size
- 34 Downloads / 173 Views
bstract In this work we study the tertiary structure of ionic and surfactant when the pH in the system is modified using electrostatic dissipative particle dynamics simulations (DPD). The dependence with pH and kind of surfactant is presented. Our simulations reproduce the experimental behavior reported in the literature. The scaling for the radius of gyration with the size of the molecule as a function of pH is also obtained.
1 Introduction Modification and control of structural and interfacial properties between the different components in confined mixed systems e.g. rock/water/oil, by the use of chemical additives, is nowadays an important research area in order to enhanced oil recovery (EOR) retained in the porous rock (Abdel-Wali 1996). EOR is based on the fact that the incorporation of other components into this complex system modifies the collective properties amongst them. The performance of the additives in the system is in strong correlation with their tertiary structure, the characteristics E. Mayoral (&) Instituto Nacional de Investigaciones Nucleares (ININ), Carretera México-Toluca (S/N), CP 52750 La Marquesa Ocoyoacac, Estado de México, Mexico e-mail: [email protected] J. M. Martínez-Magadán A. Ortega I. Soto Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México (UNAM), Apartado Postal 70-543, 04510 México, D.F., Mexico E. Nahmad-Achar Instituto Mexicano del Petróleo (IMP), Eje Central Lázaro Cárdenas S/N, México, D.F., Mexico
J. Klapp et al. (eds.), Fluid Dynamics in Physics, Engineering and Environmental Applications, Environmental Science and Engineering, DOI: 10.1007/978-3-642-27723-8_17, Ó Springer-Verlag Berlin Heidelberg 2013
233
234
E. Mayoral et al.
in the media, and the properties of oil/aqueous interfaces (Hansson and Lindman 1996). In particular, ionic strength, pH, temperature, and pressure play an important role in the behavior of these systems. Understanding how these conditions in the media modify the tertiary structure of the additives is then a fundamental task in order to design new surfactants ad hoc and to develop optimal formulations. The experimental study of the conformation of macromolecules is usually done by dynamic light scattering (DLS), but in many occasions this is complicated due to the different sizes of the molecules involved in multicomponent systems (González-Melchor et al. 2006). Alternatively, numerical simulation offers a viable option to help in the design of new additives that could give a good performance in specific situations, even under extreme conditions that are impossible to handle in laboratory. In these kinds of complex systems, where many particles with different sizes undergo interactions at different time scales, the mesoscopic simulation has prevented to be a good alternative (Español and Warren 1995; Groot and Warren 1997). One of the most important mesoscopic simulation approaches is the dissipative particle dynamics (DPD), introduced by Hoogerbruge and Koelman (1992). In this work we present a study of the ra
Data Loading...
