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Showing 1 to 20 of 258 for “"thermodynamic properties"”.
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Thermodynamic properties of intermetallics
… predictions without any experimental input of thermodynamical data like specific heat or phase stabilities. Such information is of great interest to thermodynamical modelling. Another strength of DFT is the possibility to investigate chemical reactions as demonstrated in case of the formation …
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Thermodynamic properties of polyolefins
… purpose of this investigation was to determine thermodynamic properties for linear polyethylene, polypropylene and an ethylenepropylene copolymer, from previously determined p-v-t and calorimetric data. The entropy and enthalpy were calculated from calorimetric and p-v-t data using a datum of …
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Thermodynamic Properties of Crystals Containing Imperfections
Made available in DSpace on 2015-05-12T21:41:48Z (GMT). No. of bitstreams: 2 license.txt: 4848 bytes, checksum: 96035ab3f5e1c23cc7138a224ce498bd (MD5) 6901360.PDF: 3459784 bytes, checksum: c0f437ef36a3f8484975bf685ec0feb9 (MD5) Previous issue date: 1968
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Vibrational and thermodynamic properties of ferrocene
The vibrational and thermodynamic properties of crystalline ferrocene (dicyclopentadienyl iron, Fe(CH)2' Fc), and dilute soluSStions of Fc in the liq-uid crystals 4-n-hexyloxybenzylidene 4'-npropylaniline (HBPA) and terephthal-bis-butylaniline (TBBA) have been studied using Mossbauer spectroscopy. …
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Thermodynamic properties of metal hydride nanostructures
… release temperatures, and their poor thermal properties can be resolved. In this thesis, the thermodynamic and kinetic improvements on the hydrogen release properties of nanostructured metal hydrides are investigated both theoretically and experimentally. Four main results are presented in …
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The thermodynamic properties of Markov processes
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Electrical Engineering and Computer Science, 1985.
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Structural and thermodynamic properties of silver iodide
Thesis (M.S.)--Massachusetts Institute of Technology, Dept. of Geology and Geophysics, 1960.
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Thermodynamic properties of mixed Lennard -Jones atomic clusters
… Carlo simulation techniques, we have determined thermodynamic and structural properties of argon-xenon and argon-krypton mixed noble gas clusters modeled by the Lennard-Jones potential. The efficiency and reliability of the simulations were enhanced through the implementation of an advanced …
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THERMODYNAMIC PROPERTIES OF THE UNFOLDED ENSEMBLE OF PROTEINS
… of this protein. The effect of variability in thermodynamic conditions, such as temperature and the presence of added chaotropes or kosmotropes, on the equilibrium properties and reconfiguration dynamics of the unfolded state, have been deduced in the absence of competition with folding events …
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Structural and thermodynamic properties of sodium actinide ternary oxides
… is little knowledge of their structural and thermodynamic properties. Under the oxygen potential conditions of the reactor, pentavalent $Na_3AnO_4$ (An=U,Pu,Np) is expected to form, but its structure was the subject of controversy until now. We showed that $\alpha-Na_3UO_4$ adopts a …
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Experiment, thermodynamic properties and modeling on combustion of methyl tert-butyl ether : isobutane and isobutene and thermodynamic properties of chloro alkanes and alkenes
… CHENIKIMI is used for numerical integration. Thermodynamic properties for representative multi-chloro alkanes and alkenes determined using the modified group additivity scheme are compared with literature data and show good agreement. The use of limited number of interaction groups provides …
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A multiscale theory to determine thermodynamic properties of confined fluids
… accurate approach to predict the structure and thermodynamic properties of confined fluids at multiple length-scales, ranging from few Angstroms to macro meters. In this work, first, we demonstrate the EQT-cDFT approach by simulating sin- gle component Lennard-Jones (LJ) fluids, namely, methane …
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Studies on Thermodynamic Properties of Nanoclusters With Thin-Film Nanocalorimetry
We have measured the energy released in the coalescence process. Smaller clusters were formed in the open areas between pre-existed larger clusters. Coalescence was thermal activated in a first heating cycle, and the heat capacities of the sample were measured during the multiple heating cycles. …
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The investigation of the thermodynamic properties of liquid metal solutions
The development of thermodynamic models for liquid metal solutions is reviewed and applications of these models are discussed. In addition, directions where new or more work is needed are suggested.
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Thermodynamic properties and atomic structure of Ca-based liquid alloys
… for Ca-based liquid metal batteries, the thermodynamic properties of diverse Ca-based liquid alloys were investigated. The thermodynamic properties of Ca-Sb alloys were determined by emf measurements. It was found that Sb as positive electrode would provide the highest voltage for Ca-based …
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Calculation of thermodynamic properties of gas mixtures at high temperatures
Thermodynamic properties are calculated for mixtures of ideal gases in equilibrium for temperatures up to 15,000° K. Results for air and a model Mars atmosphere are given. The equilibrium composition of a gas mixture at a given temperature and pressure is determined by minimizing the Gibbs free …
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Thermodynamic properties of phosphonium-based ionic liquid mixtures at different temperatures
Submitted in the fulfillment of the academic requirements for the degree of Masters of Applied Science in Chemistry, Durban University of Technology. Durban, South Africa, 2018.
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