TY - JOUR A1 - Gornushkin, Igor B. A1 - Sennikov, P. G. A1 - Kornev, R. A. A1 - Polyakov, V. S. T1 - Equilibrium calculations for plasmas of volatile halides of III, IV and VI group elements mixed with H2 and H2 + CX4 (X = H, Cl, F) relevant to PECVD of isotopic materials N2 - The composition of hydrogen and hydrogen-methane plasmas containing ~10% of BX₃, SiX₄, GeX₄ (X = F, Cl), SF₆, MoF₆ and WF₆ is calculated for the temperature range ~300-4000 K using the equilibrium chemical model. The calculations provide valuable information about thermodynamic parameters (pressure, temperature) needed for condensation of pure elements (in H₂ plasma) and their carbides (in H₂ + CH₄ plasma) and about intermediate reaction products. Using volatile fluorides for plasma chemical deposition alleviates obtaining monoisotopic elements and their isotopic compounds because fluorine is monoisotopic. PECVD is promising method for one-step conversion of fluorides to elemental isotopes and their carbides. For fluorides, further insight is needed into properties of plasmas supported by different types of discharges. KW - Plasma chemistry KW - Modeling chemical reactions KW - Plasma enhanced chemical vapor deposition KW - Reduction of volatile chlorides and fluorides by hydrogen PY - 2020 DO - https://doi.org/10.1007/s10967-020-07295-2 VL - 326 IS - 1 SP - 407 EP - 421 PB - Springer CY - Dordrecht AN - OPUS4-51144 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gornushkin, Igor B. A1 - Shabanov, Sergej V. A1 - Sennikov, P. G. T1 - Equilibrium Chemistry in BCl3–H2–Ar Plasma N2 - The approach, which was developed earlier for modeling chemical reactions in laser induced plasmas, is applied to radio-frequency discharge plasmas. The model is based on the assumption that all ionization processes and chemical reactions are at local thermodynamic equilibrium. A chemical composition of an argon-hydrogen plasma with an Addition of boron trichloride is studied as a function of plasma temperature and mole ratio H2∕BCl3. It is established that more than twenty simple and composite molecules and ions can be formed in the course of chemical reactions. The results are compared with those obtained earlier by means of another equilibrium model that uses ab-initio quantum chemical computations of thermochemical and kinetic data and a 0D thermochemical quilibrium solver. KW - Modeling chemical reactions KW - Plasma physics KW - Plasma enhanced chemical vapor deposition PY - 2019 DO - https://doi.org/10.1007/s11090-019-09985-6 VL - 39 IS - 4 SP - 1087 EP - 1102 PB - Springer AN - OPUS4-47817 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -