THE THERMODYNAMIC AND LATTICE VIBRATIONAL PROPERTIES OF CuPd ALLOY UNDER HYDROSTATIC PRESSURE
Abstract
Keywords
molecular dynamics,phonon spectra,Quantum Sutton-Chen,grüneisen parameter
References
- [1] Shah V, Yang L. Nanometre fcc clusters versus bulk bcc alloy: the structure of Cu-Pd catalysts. Philosophical Magazine A 1999; 79: 2025-2049.
- [2] Wang X, Ludwig K.F, Malis O, Mainville J. Temperature dependence of the diffuse-scattering fine structure in Cu-Pd alloys. Physical Review B 2001; 63: 1-4.
- [3] Kamakoti P, Sholl D.S. A comparison of hydrogen diffusivities in Pd and CuPd alloys using density functional theory. Journal of Membrane Science 2003; 225: 145-154.
- [4] Kamakoti P, Sholl D.S. Ab initio lattice-gas modeling of interstitial hydrogen diffusion in CuPd alloys. Physical Review B 2005; 71: 1-9.
- [5] Wu E.J, Ceder G. Using bond-length-dependent transferable force constants to predict vibrational entropies in Au-Cu, Au-Pd, and Cu-Pd alloys. Physical Review B 2003; 67: 1-7.
- [6] Rao F, Way J.D, McCormick R.l, Paglieri S.N. Preparation and characterization of Pd-Cu composite membranes for hydrogen separation. Chem Eng J 2003; 93: 11-22.
- [7] Pan X.L, Kilgus M, Goldbach A. Low-Temperature H2 and N2 Transport Through Thin Pd66Cu34Hx Layers. Catal Today 2005; 104: 225-230.
- [8] Morreale B.D, Howard B.H, Iyoha O, Enick R.M, Ling C, Sholl D.S. Experimental and computational prediction of the hydrogen transport properties of Pd4S. Ind Eng Chem Res 2007; 46 (19): 6313-6319.
- [9] O' Brien C.P, Howard B.H, Miller J.B, Morreale B.D, Gellman A.J. Inhibition of hydrogen transport through Pd and Pd47Cu53 membranes by H2S at 350 C. J Membr Sci 2010; 349 (1–2): 380-384.
- [10] Peters T, Kaleta T, Stange M, Bredesen R. Development of thin binary and ternary Pd-based alloy membranes for use in hydrogen production. J Membr Sci 2011; 383 (1–2): 124-134.