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Equation of State for Dense Systems of Light Molecules in Fluid and Solid States

Safdari, Fatemeh | 2010

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  1. Type of Document: M.Sc. Thesis
  2. Language: Farsi
  3. Document No: 41066 (03)
  4. University: Sharif University of Technology
  5. Department: Chemistry
  6. Advisor(s): Parsafar, Gholam Abbas
  7. Abstract:
  8. A general regularity has been found based on an effective pair potential of Lennard-Jones LJ (12, 6) for both dense nonmetallic and nonionic fluids and solids; namely, (Z-1)V2 linearly varies with respect to ρ2, this equation of state (EoS I) is known as LIR. The other equation of state (EoS II), according to wich the isotherm of (Z-1)V2 is linear in term of 1/ρ, wich gives a good description for the metallic and ionic fluids and solids. This equation of state was suggested based on an effective pair potential of LJ (6, 3). Unexpectedly, solid and liquid Ne indicates a significant deviations from EoS I. Recently, a general equation of state (EoS III) based on an effective near-neighbor pair interaction of extended LJ (12, 6, 3) type, has been introduced for a wide variety of fluids and solids that have very different properties, ranging from neon to long-chain hydrocarbons to ionic and metallic solids. The purpose of this research is to investigate the accuracy of the EoSs (I, II, III) for the other systems including light molecules such as He, H2, and D2 in fluid and solid states, at different temperatures. like neon we have noticed that these systems, don’t well obey the EoS (I, II). However, EoS III gives an excellent fit to experimental pVT data of these systems. Also, it is shown the significant deviations in dense systems of light molecules is due to, unbalance between repulsive and attractive interactions. To verify the reason for such deviations, we have shown that the hard-sphere fluids remarkably deviates from EoS I
  9. Keywords:
  10. State Equation ; Lennard-Jones Extended Potential (3,6,12) ; Hard Sphere Fluids ; Light Molecules Deuse Systems

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