Modeling the thermodynamic properties of plutonium

Stan, Marius
July 2000
AIP Conference Proceedings;2000, Vol. 532 Issue 1, p390
Academic Journal
The golden dream of any modeling enterprise is to predict the properties of the studied system in a new and often “hostile” environment. The basis of this kind of work is the careful, accurate assessment of the system properties in normal conditions. What “normal conditions” means for plutonium is an interesting question itself. This work is dedicated to modeling only a fraction of the remarkable characteristics of this “mysterious” material, that is the thermodynamic properties of its six allotropic phases (seven under pressure), the liquid phase, and the vapor phase. The goal is to provide valuable information for the calculation of alloyed plutonium phase diagrams. © 2000 American Institute of Physics.


Related Articles

  • Prediction of thermodynamic property of Pu-zircon and Pu-pyrochlore. Xu, Hulfang; Wang, Yifeng // AIP Conference Proceedings;2000, Vol. 532 Issue 1, p363 

    Due to its high durability, zircon is often present as a heavy mineral in natural environments and is the oldest mineral that has been dated on the earth. There are four zircon structure phases of M[sup 4+]SiO[sub 4] occurring in nature: zircon (ZrSiO[sub 4]), hafnon (HfSiO[sub 4]), thorite...

  • Synthesis, structure, and physicochemical properties of compounds Pb(BVUO6)2 ·nH2O (BV = P, As, V). Suleimanov, E. V.; Chernorukov, N. G.; Golubev, A. V. // Radiochemistry;Sep/Oct2004, Vol. 46 Issue 5, p446 

    Compounds Pb(BVUO6)2 ·nH2O (BV = P, As, V) were synthesized and studied by X-ray diffraction, IR spectroscopy, thermal analysis, and reaction calorimetry. The standard enthalpies and Gibbs energies of formation of the compounds atT= 298 K were determined, and processes involving these...

  • Chemical potential of a binary solution. Bulyarskii, S. V.; Prikhod�ko, V. V. // Technical Physics Letters;Apr99, Vol. 25 Issue 4, p263 

    The chemical potential of a binary solution is calculated using the Gibbs free energy method. With the aid of certain assumptions on the microscopic structure of the solution, the wellknown expression is derived for a simple solution. It is shown that the empirical interaction parameter is...

  • Misconceptions arising from a Sign Discrepancy in Thermodynamic Data for the Gibbs Free Energy Profile of Ribonuclease A. P.W. Chun // Protein & Peptide Letters;Aug2002, Vol. 9 Issue 4, p305 

    An apparent discrepancy in the data for the Gibbs free energy change as a function of temperature at different pHs, originally published by Brandts in 1965 and repeated by Brandts and Hunt in 1967 with an unexplained change in sign, has lead to close to 40 years of misguided thinking in...

  • Energetic teaching: The intimate relationship between... Macfarlane, Jeff J. // Journal of Biological Education (Society of Biology);Winter92, Vol. 26 Issue 4, p295 

    Discusses the use of Gibbs free energy in biology in understanding energetics. Discussion of the concept of Gibbs free energy in terms of entropy; Need for students to understand the importance of learning about energetics.

  • Gibbs free energy difference between the undercooled liquid and the beta phase of a Ti-Cr alloy. Ohsaka, K.; Trinh, E.H. // Applied Physics Letters;3/2/1992, Vol. 60 Issue 9, p1079 

    Determines the Gibbs free energy difference between undercooled liquid and the beta phase of a titanium-chromium alloy. Verification of a reported spontaneous vitrification the alloy; Result of additional excess free energy to the beta phase; Role of impurities on the amorphous phase.

  • On the optimal void fraction in the thermodynamics of a simple liquid. Vorob'ev, V. S. // Journal of Experimental & Theoretical Physics;Oct99, Vol. 89 Issue 4, p740 

    The free energy of a crystal containing a given void fraction is derived in terms of the truncated interparticle Lennard-Jones potential. The free energy is minimized over the void fraction at constant pressure and temperature. It is shown that for all pressures the optimal void fraction remains...

  • Monte Carlo recursion study of cluster formation from vapor. Li, Zhenqin; Scheraga, Harold A. // Journal of Chemical Physics;5/1/1990, Vol. 92 Issue 9, p5499 

    A general formalism of cluster formation from monatomic vapor is developed, based on classical statistical mechanics in the isothermal–isobaric ensemble. The Gibbs free energy of clusters in a constrained equilibrium with vapor can be computed efficiently using a Monte Carlo recursion...

  • Calculating free energies of Lennard-Jones clusters using the effective diffused potential. Schelstraete, Sigurd; Verschelde, Henri // Journal of Chemical Physics;5/1/1998, Vol. 108 Issue 17, p7152 

    Presents variational methods for the calculation of the thermodynamic properties of Lennard-Jones microclusters. Methods of free energy calculation; Results of microcluster free energy calculations; Values of the free and internal energy through variational equation for the probability...


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics