Dissertation > Excellent graduate degree dissertation topics show

The Theoretical Research of Thermal Stability of Molten Salts Materials with Heat Transfer and Thermal Storage

Author: LongBing
Tutor: ZhanShuZhong
School: South China University of Technology
Course: Inorganic Chemistry
Keywords: Molten nitrate salts chemical thermodynamics transition state first principle adsorption
CLC: TB34
Type: Master's thesis
Year: 2010
Downloads: 169
Quote: 0
Read: Download Dissertation

Abstract


Nowadays, energy has become a global issue. Clear and recyclable solar energy has become a trend to replace traditional fossil fuel energy. One of the key of improving the efficiency of solar thermal power generation is to choose the reliable high-temperature heat storage materials. As reliable heat transfer medium, molten nitrate salts have been widely used in various applications. In this paper, the reaction of molten nitrate salts oxidation has been studied. The reaction mechanism and adsorption of the ion of the reaction on （110） and （100） surface of the metal Cr have been discussed. The conclusions of this thesis may be refer to potential referable values for further theoretical and experimental studies of relevant study. The whole paper consists of five chapters, the specific research content and results are summarized as follows:1 In previous outstanding achievements, the summary of the molten nitrate salts under high temperature reactions may occur in 16 species by calculating the Gibbs free energy of these reactions and the reaction rate constant, infer the use of sodium nitrite in the molten salt temperature can occur response to the calculation of the fourth chapter provides a theoretical basis2 Quantum chemistry calculation methods using NO2- oxidation mechanism of the reactions. Use various methods to the reaction potential energy surface of reactants and products geometry optimized configuration, by comparison, established QCISD/6-311 + + G （d, p） method for the optimal method. Using this method the reaction potential energy surface of other stationary points were optimized geometries, has been the result of a transition state and one intermediate. Also through the intrinsic reaction coordinate （IRC） calculation and frequency analysis confirmed that the reaction of the transition state, and QCISD/6-311 + + G （d, p） level, accurate calculation of the reaction channel single-point stationary points able to confirm the reaction mechanism. The reaction barrier for the 94.0 kJ·mol-1, is an exothermic reaction3 The Study based on first principles density functional theory, and NO2- plane model to study the metal Cr （110） plane and （100） top position in the adsorption. NO2- in the Cr （110） surface adsorption heat of 59.8 kJ·mol-1, in Cr （100） surface adsorption heat of 59.5 kJ·mol-1, NO2- in the Cr （110） surface than in the Cr （100） surface is adsorbed more stable. NO2- adsorption at the Cr atoms will contribute to catalytic reaction.

Related Dissertations

  1. Density Functional Theory Study of Dimethyl Ether Adsorption on the Low-Index Pt Surface,O485
  2. Preparation of Based on the Phenolic Resin of Activated Carbon and Adsorption-Photopcatalytical Character of Supported TiO2,TQ424.19
  3. Competitive Adsorption of Phenolic/Ethanol onto Silica Fiber Effected by Ultrasound in RTM Process,TB332
  4. Studies on Synthesis, Characterization and Properties of Fe-V Co-doped TiO2 Catalyst,O614.411
  5. Establishment of ELISA for Detecting Cd-MT of Pteria Penguin and Preliminary Study of ELISA-kit,X835
  6. Numerical Study on Phosphorus Distribution in Water Environment of the Three Gorges Reservoir,X832
  7. ( Hydroxy) Iron Oxide and the removal of arsenic in drinking water,O614.811
  8. Under microaerobic conditions closed calcium carbide furnace exhaust COS gas adsorption purification,X781
  9. Ion Exchange Removal of Hexavalent Selenium in Raw Water,X703
  10. Study on the Chimisorption Removal of FCC Gasoline Sulfur Compound,TE624.55
  11. Preparationandapplication of Pan-Based Amphoteric Ion Exchange Fiber,TQ342.31
  12. Study on the Preparation of Medical Grade Glycerol from the By-product of Jatropha Biodiesel,TQ223.163
  13. Experiment Study of the Biogas Purification Process by Zeolite Filling Washing,TQ221.11
  14. Study on the Synthesis and Adsorption Behaviour of Chitosan Derivative,TS254.9
  15. Preparation of Activated Carbon from Tobacco Stems and Application for Low Concentration Phosphine Adsorption,X712
  16. Adsorption Effects of Phosphate and Chromium from Aqueous Solution by Adsorption Using LDH and Mg/Fe/Al Modified Montmorillonites,X703
  17. Optimization Design Andapplication of Extracting Methods of Maize (Zea Mays L.) Volatile Compounds,S513
  18. Analysis of Adsorption Mechanism of Drinking-water Defluorination Material Bio-F,O621.25
  19. Preparation of Layered Double Hydroxide Material and Research Adsorption Capacity,O611.4
  20. Accumulation and Leaching Risk of Phosphorus in Vegetable Soils under Intensive Cultivation,S63
  21. Syntheses, Structures and Properties of Metal-organic Frameworks Based on Dicarboxylate Ligands,O621.13

CLC: > Industrial Technology > General industrial technology > Materials science and engineering > Functional Materials
© 2012 www.DissertationTopic.Net  Mobile