Search results for: thermochemistry

• Thermochemistry of rare earth perovskites Na3xRE0.67−xTiO3 (RE = La, Ce)

  Publication

  • D. Feng
  • P. S. Maram
  • A. D. Mielewczyk-Gryń
  • A. Navrotsky

  - AMERICAN MINERALOGIST - Year 2016

  High-temperature oxide melt solution calorimetry using sodium molybdate (3Na2O·4MoO3) solvent at 973 K was performed for the Na3xRE0.67−xTiO3 (RE = La, Ce) perovskite series. The enthalpies of formation of lanthanum perovskites from oxides (La2O3, Na2O, TiO2), are −107.25 ± 2.56, −93.83 ± 6.06, −80.68 ± 5.93, and −33.49 ± 4.26 kJ/mol and enthalpies of formation from elements are −1614.05 ± 5.37, −1596.44 ± 7.68, −1594.03 ± 7.58,...

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• Screening stability, thermochemistry, and chemical kinetics of 3-hydroxybutanoic acid as a bifunctional biodiesel additive

  Publication

  • M. A. Abdel-Rahman
  • A. Shiroudi
  • J. Czub
  • H. Zhao

  - JOURNAL OF PHYSICAL CHEMISTRY A - Year 2024

  The thermo-kinetic aspects of 3-hydroxybutyric acid (3-HBA) pyrolysis in the gas phase were investigated using density functional theory (DFT), specifically the M06-2X theoretical level in conjunction with the cc-pVTZ basis set. The obtained data were compared with benchmark CBS-QB3 results. The degradation mechanism was divided into 16 pathways, comprising 6 complex fissions and 10 barrierless reactions. Energy profiles were calculated...

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• CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

  Journals

  ISSN: 0364-5916 , eISSN: 1873-2984

• Aleksandra Dorota Mielewczyk-Gryń dr hab. inż.

  People

  Instytut Nanotechnologii i Inżynierii Materiałowej

• Physical Chemistry_GTM_20_21_winter

  e-Learning Courses

  • A. Kloskowski
  • Ł. Nierzwicki
  • M. Śmiechowski
  • W. Chrzanowski
  • Ł. Marcinkowski

  The aim of the subject is to familarize the student with fundamental physico-chemical laws in chemical thermodynamics, phase equilibria and chemical equilibria together with ability of solving relevant text problems involving calculations, as well as teachnig him/her effective and safe carrying out simple experiments/measurements of physico-chemical quantities and proper presentation and interpretation of their results. LECTURES Chemical...