J.S. Rowlinson

Bio: J.S. Rowlinson is an academic researcher from Cornell University. The author has contributed to research in topics: Yukawa potential. The author has an hindex of 1, co-authored 1 publications receiving 93 citations.

The Yukawa potential

Abstract: The Yukawa potential, φ(r)=A(λr)-1eλr, has three important mathematical properties that are apparently unrelated but, in fact, closely linked These properties have led to the appearance of the potential in a great variety of different physical problems These ramifications are discussed in roughly chronological order The potential is generalized to spaces of dimensionality other than 3, and the properties of this generalized potential are explored

Accurate statistical associating fluid theory for chain molecules formed from Mie segments

Abstract: A highly accurate equation of state (EOS) for chain molecules formed from spherical segments interacting through Mie potentials (i.e., a generalized Lennard-Jones form with variable repulsive and attractive exponents) is presented. The quality of the theoretical description of the vapour-liquid equilibria (coexistence densities and vapour pressures) and the second-derivative thermophysical properties (heat capacities, isobaric thermal expansivities, and speed of sound) are critically assessed by comparison with molecular simulation and with experimental data of representative real substances. Our new EOS represents a notable improvement with respect to previous versions of the statistical associating fluid theory for variable range interactions (SAFT-VR) of the generic Mie form. The approach makes rigorous use of the Barker and Henderson high-temperature perturbation expansion up to third order in the free energy of the monomer Mie system. The radial distribution function of the reference monomer fluid, which is a prerequisite for the representation of the properties of the fluid of Mie chains within a Wertheim first-order thermodynamic perturbation theory (TPT1), is calculated from a second-order expansion. The resulting SAFT-VR Mie EOS can now be applied to molecular fluids characterized by a broad range of interactions spanning from soft to very repulsive and short-ranged Mie potentials. A good representation of the corresponding molecular-simulation data is achieved for model monomer and chain fluids. When applied to the particular case of the ubiquitous Lennard-Jones potential, our rigorous description of the thermodynamic properties is of equivalent quality to that obtained with the empirical EOSs for LJ monomer (EOS of Johnson et al.) and LJ chain (soft-SAFT) fluids. A key feature of our reformulated SAFT-VR approach is the greatly enhanced accuracy in the near-critical region for chain molecules. This attribute, combined with the accurate modeling of second-derivative properties, allows for a much improved global representation of the thermodynamic properties and fluid-phase equilibria of pure fluids and their mixtures.

Free energy model for inhomogeneous fluid mixtures: Yukawa‐charged hard spheres, general interactions, and plasmas

Abstract: A free energy model for the inhomogeneous hard‐sphere fluid mixture was derived recently [Phys. Rev. Lett. 63, 980 (1989)], which is based on the fundamental geometric measures of the particles. Along with an updated assessment of its accuracy, this model is first generalized for charged hard‐sphere fluid mixtures, in which every particle carries a central Yukawa charge, and it is then extended to general fluid mixtures in external fields. The Yukawa‐charged hard‐sphere mixture provides a quite general reference system for many interesting physical systems including plasmas, molten salts, and colloidal dispersions, the screening parameter enabling to interpolate between the long range Coulomb forces and the short range hard cores. A special renormalization property of the Yukawa potential provides the means to derive the exact Onsager‐type lower bound for the potential energy of the mixture, and its related asymptotic strong‐coupling limit of the liquid pair correlation functions. These results are obtained analytically for the general homogeneous mixture with Yukawa interactions. They enable to extend the fundamental measure free energy model to inhomogeneous charged Yukawa mixtures, with the charge contributions given by a truncated second order expansion from the uniform (bulk) fluid limit.The resulting free energy model, which interpolates between the ideal‐gas and ‘‘ideal‐liquid’’ limits, then leads to a self‐consistent method for calculating the density profiles for general fluid mixtures in external fields. This method is equivalent to an ansatz of ‘‘universality of the bridge functional.’’ The ‘‘bridge functional’’ consists of all the terms beyond the second order, in the expansion of the excess free energy functional around a reference uniform fluid. The self‐consistency is imposed by applying the general method in the special case when the external potential is generated by a ‘‘test particle’’ at the origin of coordinates. In this limit, our general method for nonuniform fluids corresponds to an established and successful theory for the bulk uniform fluid pair structure, namely the thermodynamically consistent modified‐hypernetted‐chain theory, with the bridge functions now generated by an explicit and demonstratively accurate, ‘‘universal,’’ hard‐sphere bridge functional. As a stringent test for the general model, the strongly coupled one‐component plasma, in the bulk and near a hard wall, is considered in some detail.

Simple liquids' quasiuniversality and the hard-sphere paradigm.

Abstract: This topical review discusses the quasiuniversality of simple liquids' structure and dynamics and two possible justifications of it. The traditional one is based on the van der Waals picture of liquids in which the hard-sphere system reflects the basic physics. An alternative explanation argues that all quasiuniversal liquids to a good approximation conform to the same equation of motion, referring to the exponentially repulsive pair-potential system as the basic reference system. The paper, which is aimed at non-experts, ends by listing a number of open problems in the field.

Beyond power-law density scaling: Theory, Simulation, and Experiment

Abstract: Supercooled liquids are characterized by relaxation times that increase dramatically by cooling or compression. Many liquids have been shown to obey power-law density scaling, according to which the relaxation time is a function of density to some power over temperature. We show that power-law density scaling breaks down for larger density variations than usually studied. This is demonstrated by simulations of the Kob-Andersen binary Lennard-Jones mixture and two molecular models, as well as by experimental results for two van der Waals liquids. A more general form of density scaling is derived, which is consistent with results for all the systems studied. An analytical expression for the scaling function for liquids of particles interacting via generalized Lennard-Jones potentials is derived and shown to agree very well with simulations. This effectively reduces the problem of understanding the viscous slowing down from being a quest for a function of two variables to a search for a single-variable function.

Proteins at fluid interfaces: Adsorption layers and thin liquid films

Abstract: A review in which many original published results of the authors as well as many other papers are discussed. The structure and some properties of the globular proteins are shortly presented, special accent being put on the α-chymotrypsin (α-ChT), lysozyme (LZ), human serum albumin (HSA), and bovine serum albumin (BSA) which have been used in the experiments with thin liquid films. The behaviour of protein adsorption layers (PAL) is extensively discussed. The dynamics of PAL formation, including the kinetics of adsorption as well as the time evolution of the surface tension of protein aqueous solutions, are considered. A considerable place is devoted to the surface tension and adsorption isotherms of the globular protein solutions, the simulation of PAL by interacting hard spheres, the experimental surface tension isotherms of the above mentioned proteins, and the interfacial tension isotherms for the protein aqueous solution/oil interface. The rheological properties of PAL at fluid interfaces are shortly reviewed. After a brief information about the experimental methods for investigation of protein thin liquid (foam or emulsion) films, the properties of the protein black foam films are extensively discussed: the conditions for their formation, the influence of the electrolytes and pH on the film type and stability, the thermodynamic properties of the black foam films, the contact angles film/bulk and their dynamic hysteresis. The next center of attention concerns some properties of the protein emulsion films: the conditions for formation of emulsion black films, the formation and development of a dimpling in microscopic, circular films. The protein–phospholipid mixed foam films are also briefly considered.