Quantum Cluster Equilibrium Theory for Multicomponent Liquids
Tom Frömbgen,
Katrin Drysch,
Paul Zaby
et al.
Abstract:In this work, we present a new theory to treat multicomponent liquids based on quantum-chemically calculated clusters. The starting point is the binary quantum cluster equilibrium theory, which is able to treat binary systems. The theory provides one equation with two unknowns. In order to obtain another linearly independent equation, the conservation of mass is used. However, increasing the number of components leads to more unknowns, and this requires linearly independent equations. We address this challenge… Show more
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