Applications to Soft Matter

Hansen, Jean‐Pierre; McDonald, Ian R.

doi:10.1016/b978-0-12-387032-2.00012-x

Cited by 277 publications

(552 citation statements)

References 135 publications

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“…It is very fascinating that very different effects such as the bulk effect of viscosity 30,31 and interfacial effect such as surface tension 21,32 all follow the same trend as described by the Hofmeister series. The common thread linking all these ARTICLE effects is hydration and the unique properties of water.…”

Section: Electroneutrality Breakdown In Nanoconfinementmentioning

confidence: 99%

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Electroneutrality breakdown and specific ion effects in nanoconfined aqueous electrolytes observed by NMR

Luo¹,

Xing²,

Ling³

et al. 2015

Nat Commun

129

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Ion distribution in aqueous electrolytes near the interface plays a critical role in electrochemical, biological and colloidal systems, and is expected to be particularly significant inside nanoconfined regions. Electroneutrality of the total charge inside nanoconfined regions is commonly assumed a priori in solving ion distribution of aqueous electrolytes nanoconfined by uncharged hydrophobic surfaces with no direct experimental validation. Here, we use a quantitative nuclear magnetic resonance approach to investigate the properties of aqueous electrolytes nanoconfined in graphitic-like nanoporous carbon. Substantial electroneutrality breakdown in nanoconfined regions and very asymmetric responses of cations and anions to the charging of nanoconfining surfaces are observed. The electroneutrality breakdown is shown to depend strongly on the propensity of anions towards the water-carbon interface and such ion-specific response follows, generally, the anion ranking of the Hofmeister series. The experimental observations are further supported by numerical evaluation using the generalized Poisson-Boltzmann equation.

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Section: Electroneutrality Breakdown In Nanoconfinementmentioning

confidence: 99%

“…More insight into the anion's influence on Na þ concentration can be gained by looking at the various factors determining the ion distribution near the interface. The ion distribution for ion i with valency z i is given by 32,33 r i ðxÞ ¼…”

Section: Electroneutrality Breakdown In Nanoconfinementmentioning

confidence: 99%

Electroneutrality breakdown and specific ion effects in nanoconfined aqueous electrolytes observed by NMR

Luo¹,

Xing²,

Ling³

et al. 2015

Nat Commun

129

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“…Ever since an enormous body of works was created, which by now is a standard tool in liquid state theory, see e.g. [17]. Furthermore, there is recent interest in developing coarse-graining methods based on this theory, see for example [29,33,34].…”

Section: Introductionmentioning

confidence: 99%

Convergence of Density Expansions of Correlation Functions and the Ornstein–Zernike Equation

Kuna

Tsagkarogiannis

2018

Ann. Henri Poincaré

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Abstract.We prove absolute convergence of the multi-body correlation functions as a power series in the density uniformly in their arguments. This is done by working in the context of the cluster expansion in the canonical ensemble and by expressing the correlation functions as the derivative of the logarithm of an appropriately extended partition function. In the thermodynamic limit, due to combinatorial cancellations, we show that the coefficients of the above series are expressed by sums over some class of two-connected graphs. Furthermore, we prove the convergence of the density expansion of the "direct correlation function" which is based on a completely different approach and it is valid only for some integral norm. Precisely, this integral norm is suitable to derive the OrnsteinZernike equation. As a further outcome, we obtain a rigorous quantification of the error in the Percus-Yevick approximation.

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“…33 To determine the time evolution of this non-equilibrium density profile, we require a theory for the dynamics of the colloids. This is supplied by dynamical density functional theory (DDFT), which shows that for Brownian colloidal particles, the time evolution of ρ(r,t) is governed by 1,33,34 …”

Section: Continuum Dft Approximationmentioning

confidence: 99%

“…1 However, in some circumstances, the interactions can be attractive at short ranges when the particle cores are close to one another, but at longer ranges be repulsive. These shortrange attractive, long-range repulsive (SALR) potentials can arise in certain suspensions of charged colloids and polymers 2 and also in protein solutions.…”

Section: Introductionmentioning

confidence: 99%

Two-dimensional colloidal fluids exhibiting pattern formation

Chacko

Chalmers

Archer

2015

The Journal of Chemical Physics

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Hard sphere fluids at a soft repulsive wall: A comparative study using Monte Carlo and density functional methods J. Chem. Phys. 134, 214706 (2011) Fluids with competing short range attraction and long range repulsive interactions between the particles can exhibit a variety of microphase separated structures. We develop a lattice-gas (generalised Ising) model and analyse the phase diagram using Monte Carlo computer simulations and also with density functional theory (DFT). The DFT predictions for the structures formed are in good agreement with the results from the simulations, which occur in the portion of the phase diagram where the theory predicts the uniform fluid to be linearly unstable. However, the mean-field DFT does not correctly describe the transitions between the different morphologies, which the simulations show to be analogous to micelle formation. We determine how the heat capacity varies as the model parameters are changed. There are peaks in the heat capacity at state points where the morphology changes occur. We also map the lattice model onto a continuum DFT that facilitates a simplification of the stability analysis of the uniform fluid. C 2015 AIP Publishing LLC. [http://dx

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Applications to Soft Matter

Cited by 277 publications

References 135 publications

Electroneutrality breakdown and specific ion effects in nanoconfined aqueous electrolytes observed by NMR

Electroneutrality breakdown and specific ion effects in nanoconfined aqueous electrolytes observed by NMR

Convergence of Density Expansions of Correlation Functions and the Ornstein–Zernike Equation

Two-dimensional colloidal fluids exhibiting pattern formation

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