any estimate of !.1 is attempted. It will be noted that the values from virial coefficients (±6, ±5) are appreciably larger than our value and may reflect the fact that in selecting parameters for the 12-6 core potential, the dispersion forces were underestimated leading to a corresponding overestimate of the effect of an octopole moment. An evaluation of the quantum-mechanical estimates of !.1...

The osmotic coefficient of aqueous solutions of cyclohexylsulfamic acid was determined by freezing point measurements up to the molality 0.65 mol kg-1. The osmotic coefficients were fitted to the Pitzer equation, and ion interaction parameters α1, β(0) and β(1) were evaluated. The mean ion activity coefficient of the solute was calculated, and the non-ideal behaviour of the system investigated ...

We present a new and considerably extended parameterization of the thermodynamic activity coefficient model AIOMFAC (Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients) at room temperature. AIOMFAC combines a Pitzer-like electrolyte solution model with a UNIFAC-based group-contribution approach and explicitly accounts for interactions between organic functional groups an...

A corresponding-states correlation for predicting the critical heat flux (CHF) in pool boiling conditions is proposed, and only requires knowledge of physical property constants fluid at any temperature: molar mass, temperature, pressure, Pitzer acentric factor. If a fourth corresponding equation state (EoS) parameter added, more accurate CHF obtained matches Kutateladze–Zuber prediction within...

Experimental measurements of density at different temperatures ranging from 293.15 to 313.15 K, the speed of sound and osmotic coefficients at 298.15 K for aqueous solution of 1-ethyl-3-methylimidazolium bromide ([Emim][Br]), and osmotic coefficients at 298.15 K for aqueous solutions of 1-butyl-3-methylimidazolium chloride ([Bmim][Cl]) in the dilute concentration region are taken. The data are ...

MSTor is a computer program for calculating gas-phase molecular partition functions and thermodynamic functions (standard state energy, enthalpy, entropy, free energy, and heat capacity at constant pressure) as functions of temperature by the multistructural approximation with torsional anharmonicity (MS-T). The MS-T approximation accounts for the coupling of torsions to one another and to over...

The evaluation of the classical rotational partition function represented by a configuration integral over all external and internal rotational degrees of freedom of nonrigid chain polyatomic molecules is described. The method of Pitzer and Gwinn is used to correct the classical partition function for quantum mechanical effects at low temperatures. The internal rotor hindrance and all coupling ...

Reports about runaway jury awards have become so common that it is widely accepted that the US jury system needs to be ‘fixed.’ Proposals to limit the right to a jury trial and increase judicial discretion over awards implicitly assume that judges decide cases differently than juries. We show that there are large differences in mean awards and win rates across juries and judges. But if the type...

The substance Tris (or THAM, 2-amino-2-hydroxymethyl-1,3-propanediol, CAS 77–86-1), and its protonated form TrisH+, is used in the preparation of pH buffer solutions for applications seawater chemistry. development an acid-base chemical speciation model containing Tris, major ions desirable so that: (i) effects changes composition medium on can be calculated; (ii) free (a measure [H+]) total ([...

Accurate chemical speciation models of solutions containing the ions seawater have applications in calculation carbonate system equilibria and trace metal natural waters, determination pH. Existing models, based on Pitzer formalism for activity coefficients, do not yet agree with key experimental data (potentiometric determinations H+ Cl− products acidified artificial seawaters) and, critically...