Results 11 to 20 of about 160,991 (216)
Thermodynamic Parameters of PbTe Crystals: DFT-Calculations
Фізика і хімія твердого тіла, 2016 Based on the analysis of the crystal NaCl type and electronic structure of cubic phase CdS crystals the cluster models have been built for calculation of the geometric and thermodynamic parameters.
D. M. Freik +2 more
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Parameter Estimation as a Problem in Statistical Thermodynamics [PDF]
AIP Conference Proceedings, 2011 In this work, we explore the connections between parameter fitting and statistical thermodynamics using the maxent principle of Jaynes as a starting point. In particular, we show how signal averaging may be described by a suitable one particle partition function, modified for the case of a variable number of particles.
Keith A. Earle +4 more
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Intensive thermodynamic parameters in nonequilibrium systems [PDF]
Physical Review E, 2007 Considering a broad class of steady-state nonequilibrium systems for which some additive quantities are conserved by the dynamics, we introduce from a statistical approach intensive thermodynamic parameters (ITPs) conjugated to the conserved quantities. This definition does not require any detailed balance relation to be fulfilled.
Bertin, Eric +3 more
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Stochastic thermodynamics with odd controlling parameters [PDF]
Physical Review E, 2019 Stochastic thermodynamics extends the notions and relations of classical thermodynamics to small systems that experience strong fluctuations. The definitions of work and heat and the microscopically reversible condition are two key concepts in the current framework of stochastic thermodynamics.
Geng Li, Z. C. Tu
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Definition and Relevance of Nonequilibrium Intensive Thermodynamic Parameters [PDF]
Physical Review Letters, 2006 4 pages, final ...
Bertin, Eric +2 more
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Bayesian quantification of thermodynamic uncertainties in dense gas flows [PDF]
, 2014 A Bayesian inference methodology is developed for calibrating complex equations of state used in numerical fluid flow solvers. Precisely, the input parameters of three equations of state commonly used for modeling the thermodynamic behavior of so-called ...
CINNELLA, Paola, X. Merle, MERLE, Xavier
core +1 more source
An evaluation of thermodynamic models for the prediction of drug and drug-like molecule solubility in organic solvents [PDF]
, 2011 Prediction of solubility of active pharmaceutical ingredients (API) in different solvents is one of the main issue for crystallization process design. Experimental determination is not always possible because of the small amount of product available in ...
Béatrice Biscans +5 more
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مجلة بغداد للعلوم, 2022 A theoretical and protection study was conducted of the corrosion behavior of carbon steel surface with different concentrations of the derivative (Quinolin-2-one), namely 7-Ethyl-4-methyl-1-[(4-nitro-benzylidene)-amino]-1H-quinolin-2-one (EMNQ2O ...
Rehab Majid Kubba +1 more
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Can the Thermodynamic Hodgkin-Huxley Model of Voltage-Dependent Conductance Extrapolate for Temperature? [PDF]
, 2014 Hodgkin and Huxley (H-H) fitted their model of voltage-dependent conductances to experimental data using empirical functions of voltage. The thermodynamic H-H model of voltage dependent conductances is more physically plausible, as it constrains and ...
Michael D. Forrest +2 more
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Journal of Saudi Chemical Society, 2015 The thermodynamic activation parameters such as, free energy (ΔG#), enthalpy (ΔH#) and entropy (ΔS#) change for the viscous flow of the ternary systems of Methanol, Ethanol, n-Propanol and iso-Propanol in 0.005 and 0.01 M aqueous Sodium Dodecyl Sulfate ...
Md. Abdul Motin +2 more
doaj +1 more source