21THERMODYNAMIC MODELING OF AQUEOUS AND MIXED SOLVENT ELECTROLYTE SYSTEMS

Benjamin Caudle, Toni E. Kirkes, Cheng‐Hsiu Yu, and Chau‐Chyun Chen

Texas Tech University, Lubbock, TX, USA

21.1 INTRODUCTION

Electrolyte systems are ubiquitous and play critical roles in a wide variety of industrial and natural processes, including basic chemical manufacturing, pharmaceutical processing, oil and gas production, flue gas desulfurization, CO2 capture and sequestration, nuclear waste processing, electronic waste treatment, energy production and storage, etc. For example, it is estimated that half of all drug molecules used in medicinal therapy are administrated as salts [1]; “produced water” from oil and gas extraction may have salinity up to 30 wt % electrolytes [2]; waste sludge resulting from nuclear materials processing contains electrolytes encompassing much of the periodic table [3]; and electrolytes are the key ingredients in electrochemical energy production and storage systems such as fuel cells, batteries, and electrochemical capacitors [4].

A core element of modern chemical engineering practice is process simulation. It has been widely accepted and routinely practiced by chemical engineers worldwide in the design, debottlenecking, and optimization of chemical processes across all industries [5]. The foundation of successful process simulation is the underlying thermodynamic model that calculates the various thermodynamic properties of a component or mixture based on thermodynamic ...

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