«complex thermodynamic properties»
۲۳۰۰ نتیجهPrediction of Thermodynamic Properties of Helium and Neon as Working Fluids in Cryogenic Processes using Fundamental Equations of States
Design and optimization of various thermodynamic processes that are used in chemical industries such as low- temperature refrigeration and cryogenic cycles, requires computer software to simulate the thermodynamic cycle and examine the effect of various parameters on the performa
1 Thermodynamic Properties of Solids : Experiment and Modeling
While thinking of thermodynamic properties of solids, a wide variety of properties and phenomena come to mind. Perhaps the most notable are specific heat, phase transitions, thermal expansion, thermal conductivity, melting, and so on. The macroscopic thermodynamic properties [1–1
Thermodynamics and Lattice Vibrations of Minerals' Applications to Phase Equilibria, Isotopic Fractionation, and High-Pressure Thermodynamic Properties
In previous papers in this series, a model that uses available elastic, structural, and spectroscopic data on minerals has been used to predict the thermodynamic functions Cv (heat capacity), S (entropy), E (internal energy), and F (Helmholtz free energy). In this paper, four app
Evaluation of the Thermodynamic Properties of H 2 Binding in Solid State Dihydrogen Complexes
The solid state complex [Mn(CO)dppe2][BArF] was synthesized and the thermodynamic behavior and properties of the hydrogen absorption reaction to form the dihydrogen complex [Mn(η-H2)dppe2][BArF] were measured over the temperature range 313K-373K and pressure range 0–600 torr usin
The two-phase model for calculating thermodynamic properties of liquids from molecular dynamics: Validation for the phase diagram of Lennard-Jones fluids
We propose a general approach for determining the entropy and free energy of complex systems as a function of temperature and pressure. In this method the Fourier transform of the velocity autocorrelation function, obtained from a short ~20 ps! molecular dynamics trajectory is us
ABSTRACT Title of Dissertation: FINELY-DISCRETIZED LATTICE MODELS FOR THERMODYNAMIC PROPERTIES OF FLUIDS
Title of Dissertation: FINELY-DISCRETIZED LATTICE MODELS FOR THERMODYNAMIC PROPERTIES OF FLUIDS Sarvin Moghaddam, Doctor of Philosophy, 2003 Dissertation directed by: Professor Mikhail Anisimov Department of Chemical Engineering Institute for Physical Science and Technology Unive
Hydrogen bond networks determine emergent mechanical and thermodynamic properties across a protein family
BACKGROUND Gram-negative bacteria use periplasmic-binding proteins (bPBP) to transport nutrients through the periplasm. Despite immense diversity within the recognized substrates, all members of the family share a common fold that includes two domains that are separated by a cons
Cation distributions and thermodynamic properties of binary spinel solid solutions
A general model is presented to enable the calculation of the cation distribution and thermodynamic properties of any binary solid solution between oxide spinels containing 2*, 3* and 4* cations. The model includes the effect ofdisordering enthalpy which depends linearly on the d
Temperature, pressure, and electrochemical constraints on protein speciation: Group additivity calculation of the standard molal thermodynamic properties of ionized unfolded proteins
Thermodynamic calculations can be used to quantify environmental constraints on the speciation of proteins, such as the pH and temperature dependence of ionization state, and the relative chemical stabilities of proteins in different biogeochemical settings. These calculations de
Structural, mechanical, and thermodynamic properties of a coarse-grained DNA model.
We explore in detail the structural, mechanical, and thermodynamic properties of a coarse-grained model of DNA similar to that recently introduced in a study of DNA nanotweezers [T. E. Ouldridge, A. A. Louis, and J. P. K. Doye, Phys. Rev. Lett. 134, 178101 (2010)]. Effective inte