Scaling properties in the adsorption of ionic polymeric surfactants on generic nanoparticles of metallic oxides by mesoscopic simulation

We study the scaling of adsorption isotherms of polyacrylic dispersants on generic surfaces of metallic oxides $XnOm$ as a function of the number of monomeric units, using Electrostatic Dissipative Particle Dynamics simulations. The simulations show how the scaling properties in these systems emerge and how the isotherms rescale to a universal curve, reproducing reported experimental results. The critical exponent for these systems is also obtained, in perfect agreement with the scaling theory of deGennes. Some important applications are mentioned.Comment: 10 pages, 6 figure

Multiscale Modeling of the effect of Pressure on the Interfacial Tension and other Cohesion Parameters in Binary Mixtures

We study and predict the interfacial tension, solubility parameters and Flory-Huggins parameters of binary mixtures as functions of pressure and temperature, using multiscale numerical simulation. A mesoscopic approach is proposed for simulating the pressure dependence of the interfacial tension for binary mixtures, at different temperatures, using classical Dissipative Particle Dynamics (DPD). The thermodynamic properties of real systems are reproduced via the parametrization of the repulsive interaction parameters as functions of pressure and temperature via Molecular Dynamics simulations. Using this methodology, we calculate and analyze the cohesive density energy and the solubility parameters of different species obtaining excellent agreement with reported experimental behavior. The pressure- and temperature-dependent Flory-Huggins and repulsive DPD interaction parameters for binary mixtures are also obtained and validated against experimental data. This multiscale methodology offers the benefit of being applicable for any species and under difficult or non-feasible experimental conditions, at a relatively low computational cost.Comment: 11 pages, 4figures, 4 table

Study of Interfacial Tension between an Organic Solvent and Aqueous Electrolyte Solutions Using Electrostatic Dissipative Particle Dynamics Simulations

The study of the modification of interfacial properties between an organic solvent and aqueous electrolyte solutions is presented by using electrostatic Dissipative Particle Dynamics (DPD) simulations. In this article the parametrization for the DPD repulsive parameters aij for the electrolyte components is calculated considering the dependence of the Flory-Huggins \c{hi} parameter on the concentration and the kind of electrolyte added, by means of the activity coefficients. In turn, experimental data was used to obtain the activity coefficients of the electrolytes as a function of their concentration in order to estimate the \c{hi} parameters and then the aij coefficients. We validate this parametrization through the study of the interfacial tension in a mixture of n-dodecane and water, varying the concentration of different inorganic salts (NaCl, KBr, Na2SO4 and UO2Cl2). The case of HCl in the mixture n-dodecane/water was also analyzed and the results presented. Our simulations reproduce the experimental data in good agreement with previous work, showing that the use of activity coefficients to obtain the repulsive DPD parameters aij as a function of concentration is a good alternative for these kinds of systems.Comment: 18 pp., 6 figures, 1 tabl

Parametrisation in electrostatic DPD Dynamics and Applications

A brief overview of mesoscopic modelling via dissipative particle dynamics is presented, with emphasis on the appropriate parametrisation and how to calculate the relevant parameters for given realistic systems. The dependence on concentration and temperature of the interaction parameters is also considered, as well as some applications.Comment: 28 pages, 12 figures in Selected Topics of Computational and Experimental Fluid Mechanics, Environmental Science and Engineering, J. Klapp et al. (eds.), Springer Verlag 201

Quantum phases of a three-level matter-radiation interaction model using SU(3)SU(3) coherent states with different cooperation numbers

We use coherent states as trial states for a variational approach to study a system of a finite number of three-level atoms interacting in a dipolar approximation with a one-mode electromagnetic field. The atoms are treated as semi-distinguishable using different cooperation numbers and representations of SU(3). We focus our analysis on the quantum phases of the system as well as the behavior of the most relevant observables near the phase transitions. The results are computed for all three possible configurations ($\Xi$, $\Lambda$ and $V$) of the three-level atoms.Comment: 9 pages, 13 figures. arXiv admin note: text overlap with arXiv:1712.0188

Mirror symmetry in the energy spectra of nn-level systems

The energy spectrum of a system of $N_a$ atoms of $n$ levels interacting with a one-mode electromagnetic field is studied in the dipole and rotating wave approximations. We find that, under the resonant condition, it exhibits a mirror symmetry with respect to the energy $E=M$ where $M$ the total number of excitations. Thus, for any eigenstate $|\psi_M^{+}\rangle$ with energy $E=M+{\cal E}$ there exists a related eigenstate $|\psi_M^{-}\rangle$ with energy $E=M-{\cal E}$ via the unitary parity operator in the number of photons . This is independent of the dipolar coupling between the levels. We give explicit examples for $3$-level systems.Comment: 5 pages, 4 figure

Variational Study of λ\lambda- and NN-Atomic Configurations Interacting with an Electromagnetic Field of 22 Modes

A study of the $\lambda$- and $N$-atomic configurations under dipolar interaction with $2$ modes of electromagnetic radiation is presented. The corresponding quantum phase diagrams are obtained by means of a variational procedure. Both configurations exhibit normal and collective (super-radiant) regimes. While the latter in the $\lambda$-configuration divides itself into $2$ subregions, corresponding to each of the modes, that in the $N$-configuration may be divided into $2$ or $3$ subregions depending on whether the field modes divide the atomic system into $2$ separate subsystems or not. Our variational procedure compares well with the exact quantum solution. The properties of the relevant field and matter observables are obtained.Comment: 8 pages, 7 figures, 4 table

A triple point in 3-level systems

The energy spectrum of a 3-level atomic system in the $\Xi$-configuration is studied. This configuration presents a triple point independently of the number of atoms, which remains in the thermo- dynamic limit. This means that in a vicinity of this point any quantum fluctuation will drastically change the composition of the ground state of the system. We study the expectation values of the atomic population of each level, the number of photons, and the probability distribution of photons at the triple point.Comment: 5 pages, 8 figure

A semi-classical versus quantum description of the ground state of three-level atoms interacting with a one-mode electromagnetic field

We consider $N_a$ three-level atoms (or systems) interacting with a one-mode electromagnetic field in the dipolar and rotating wave approximations. The order of the quantum phase transitions is determined explicitly for each of the configurations $\Xi$, $\Lambda$ and $V$, with and without detuning. The semi-classical and exact quantum calculations for both the expectation values of the total number of excitations $\cal{M}=\langle \bm{M} \rangle$ and photon number $n=\langle \bm{n} \rangle$ have an excellent correspondence as functions of the control parameters. We prove that the ground state of the collective regime obeys sub-Poissonian statistics for the ${\cal M}$ and $n$ distribution functions. Therefore, their corresponding fluctuations are not well described by the semiclassical approximation. We show that this can be corrected by projecting the variational state to a definite value of ${\cal M}$.Comment: 28 page

On the Superradiant Phase in Field-Matter Interactions

We show that semi-classical states adapted to the symmetry of the Hamiltonian are an excellent approximation to the exact quantum solution of the ground and first excited states of the Dicke model. Their overlap to the exact quantum states is very close to 1 except in a close vicinity of the quantum phase transition. Furthermore, they have analytic forms in terms of the model parameters and allow us to calculate analytically the expectation values of field and matter observables. Some of these differ considerably from results obtained via the standard coherent states, and by means of Holstein-Primakoff series expansion of the Dicke Hamiltonian. Comparison with exact solutions obtained numerically support our results. In particular, it is shown that the expectation values of the number of photons and of the number of excited atoms have no singularities at the phase transition. We comment on why other authors have previously found otherwise