The special focus of JESS is to understand and, progressively, to remedy the reasons for the substantial discrepancies which frequently occur between chemical speciation calculations from different workers. Our aim is to improve the accuracy of quantitative predictions concerning the physicochemical behaviour of aqueous solutions.

The authors of JESS have published a number of papers describing various aspects of JESS development. Reprints are available on request.

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J. Chem. Thermodyn., 2019, 128, 195 (details)

• Correcting the volumetric properties of lithium tetraborate

Chem. Commun. (London), 2018, 54, 1980 (details)

• Goodbye to S^2- in aqueous solution

J. Phys. Chem. Ref. Data, 2018, 47, 023104-1 (details)

• Thermodynamic properties of the glycine + H₂O system. Online calculator

New J. Chem., 2018, 42, 7617 (details)

• Thermodynamically-consistent standard Gibbs energies of reaction for aqueous solutions
  Equilibrium constants for any reaction

J. Solution Chem., 2018, 47, 107 (details)

• Comparative investigation of mixing rules for strong electrolyte solutions

Am. Mineral., 2017, 102, 701 (details)

• Mineral precipitation and dissolution in the kidney

J. Chem. Eng. Data, 2017, 62, 2481 (details)

• Thermodynamic modelling of aqueous electrolyte systems: Current status

J. Chem. Eng. Data, 2017, 62, 310 (details)

• Investigation of Harned's rule for predicting the activity coefficients of strong aqueous electrolyte solution mixtures at 25 °C

Talanta, 2015, 144, 90 (details)

• Thermodynamically-robust Pitzer equations for volumetric properties

Dalton Trans., 2015, 44, 20413 (details)

• Formation constants of Copper(I) complexes with cysteine, penicillamine and glutathione: Implications for copper speciation in the human eye

Appl. Geochem., 2015, 55, 170 (details)

• Limitations of the Pitzer equations for modelling aqueous electrolyte solutions

Appl. Geochem., 2015, 55, 3 (details)

• Strengths, weaknesses and future needs in the modelling of chemical speciation

J. Chem. Eng. Data, 2014, 59, 2030 (details)

• Thermodynamics of strong aqueous electrolyte solutions at T = 25 °C described by the Hückel equations Graphical output

Fluid Phase Equilib., 2013, 338, 54 (details)

• Pitzer-based characterization of aqueous magnesium chloride, calcium chloride and potassium iodide solution densities to high temperature and pressure Graphical output

J. Chem. Eng. Data, 2012, 57, 2589 (details)

• An investigation of Zdanovskii's rule for predicting the water activity of multicomponent aqueous strong electrolyte solutions

J. Chem. Eng. Data, 2011, 56, 5066 (details)

• Generic, updatable Pitzer characterization of aqueous binary electrolyte solutions at 1 bar and 25 °C

Talanta, 2010, 81, 149 (details)

• Thermodynamic property prediction for multicomponent concentrated aqueous electrolyte solutions with Zdanovskii's rule

Talanta, 2010, 81, 142 (details)

• Large database of aqueous solution physicochemical properties with an automatic means of achieving thermodynamic consistency

J. Chem. Eng. Data, 2001, 46, 1035 (details)

• Database of chemical reactions designed to achieve thermodynamic consistency automatically

Chem. Commun., 2000, 1265 (details)

• A simple, general and robust function for equilibria in aqueous electrolyte solutions to high ionic strength and temperature

Talanta, 1993, 40, 819 (details)

• Proposes functions for coupling equilibrium calculations with other chemical effects and processes, with application to changing ionic strength and temperature

Talanta, 1991, 38, 1419 (details)

• The thermodynamic database and mechanisms for addressing many of the limitations of conventional storage of thermodynamic parameters

Talanta, 1991, 38, 1409 (details)

• Reasons for developing JESS, a computer package for modelling chemical systems in solution and solving problems requiring specialist knowledge of chemical speciation

Our Primer documents provide a full introduction to JESS and can be downloaded.