Thermodynamic Modeling of Condensed Phase Composition during Decomposition of Iron(III) Acetylacetonate

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Abstract

Thermodynamic modeling of the composition of condensed phases formed during the decomposition of the volatile precursor Fe(acac)3, iron (III) acetylacetonate, depending on the conditions (temperature, total pressure, amount of added oxygen) was performed. Selection and processing of initial thermodynamic data for gaseous and crystalline Fe(acac)3 (enthalpy and entropy of formation, temperature dependences of heat capacity) and for its sublimation process have been carried out. It is shown that the introduction of a set of consistent data on the precursor does not affect the modeling results, i. e., the initial substance is thermodynamically unstable in equilibrium with the possible components of the gas phase and the complication of the calculation model is not reasonable. The obtained diagrams can be useful for optimization of processes of chemical gas-phase deposition of materials containing iron oxide or carbide phases.

About the authors

E. A. Richter

A. V. Nikolaev Institute of Inorganic Chemistry. A. V. Inorganic Chemistry Siberian Branch of RAS; Novosibirsk National Research State University

Email: e.rikhter@g.nsu.ru
630090, Novosibirsk, Russia; 630090, Novosibirsk, Russia

S. E. Varvarinskaya

A. V. Nikolaev Institute of Inorganic Chemistry. A. V. Inorganic Chemistry Siberian Branch of RAS; Novosibirsk National Research State University

630090, Novosibirsk, Russia; 630090, Novosibirsk, Russia

S. V. Sysoev

A. V. Nikolaev Institute of Inorganic Chemistry. A. V. Inorganic Chemistry Siberian Branch of RAS

630090, Novosibirsk, Russia

M. A. Bespyatov

A. V. Nikolaev Institute of Inorganic Chemistry. A. V. Inorganic Chemistry Siberian Branch of RAS

630090, Novosibirsk, Russia

E. S. Vikulova

A. V. Nikolaev Institute of Inorganic Chemistry. A. V. Inorganic Chemistry Siberian Branch of RAS

630090, Novosibirsk, Russia

N. V. Gelfond

A. V. Nikolaev Institute of Inorganic Chemistry. A. V. Inorganic Chemistry Siberian Branch of RAS

630090, Novosibirsk, Russia

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