نتایج جستجو برای: thermodynamic models

تعداد نتایج: 944132  

Journal: :Chaos 2021

The minimum heat cost of computation is subject to bounds arising from Landauer's principle. Here, I derive on finite modelling -- the production or anticipation patterns (time-series data) by devices that model pattern in a piecewise manner and are equipped with amount memory. When producing pattern, show dissipation proportional information model's memory about pattern's history never manifes...

Quantitative Structure-Property Relationship (QSPR) models for modeling and predicting thermodynamic properties such as the enthalpy of vaporization at standard condition (ΔH˚vap kJ mol-1) and normal temperature of boiling points (T˚bp K) of 57 mono and Polycyclic Aromatic Hydrocarbons (PAHs) have been investigated. The PAHs were randomly separated into 2 groups: training and test sets. A set o...

Solubility of hydrocarbons in water is important due to ecological concerns and new restrictions on the existence of organic pollutants in water streams. Also, the creation of a thermodynamic model has required an advanced study of the phase equilibrium between water (as a basis for the widest spread muds and amines) and gas hydrocarbon phases in wide temperature and pressure ranges. Therefore,...

Journal: :Organic & biomolecular chemistry 2015
Ke Xia Guang-Bin Shen Xiao-Qing Zhu

32 F420 coenzyme models with alkylation of the three different N atoms (N1, N3 and N10) in the core structure (XFH(-)) were designed and synthesized and the thermodynamic driving forces (defined in terms of the molar enthalpy changes or the standard redox potentials in this work) of the 32 XFH(-) releasing hydride ions, hydrogen atoms and electrons, the thermodynamic driving forces of the 32 XF...

رضایی صامتی, مهدی, مرادی, فاطمه,

The aims of this project are to investigate the effects of Isoniazid drug adsorption on the geometrical and electrical structure of pristine and Ni-doped Gallium nitride nanotube (GaNNTs). For this purpose, 24  different configuration models are considered  for adsorbing Isoniazid on the surface of nanotube and then all considered structures are optimized by using density function theory (DFT) ...

In this study, NRTL and UNIQUAC thermodynamic models were used to predict the composition of ternary mixtures of solvents+ m/o/p-cresol+ water in organic and aqueous phases. Various solvents are used for the separation of cresols from water. In this study, methyl propyl ketone, methyl isopropyl ketone, methyl butyl ketone, and methyl isobutyl ketone solvents were investigated. Intermolecular in...

2012
Y. Gandica E. Medina I. Bonalde

We propose a thermodynamic version of the Axelrod model of social influence. In one-dimensional (1D) lattices, the thermodynamic model becomes a coupled Potts model with a bonding interaction that increases with the site matching traits. We analytically calculate thermodynamic and critical properties for a 1D system and show that an order-disorder phase transition only occurs at T = 0 independe...

1989
John W. Collins Kenneth D. Forbus

This paper describes a qualitative domain theory for core phenomena in engineering thermodynamics, expressed in Qualitative Process theory . It represents many of the best features of domain models developed by our group over the past five years . It focuses on supporting system-level qualitative analyses of typical fluid and thermal systems, such as refrigerators and power plants . We use expl...

2009
Denis C. Bauer Timothy L. Bailey

MOTIVATION Modeling transcriptional regulation using thermo-dynamic modeling approaches has become increasingly relevant as a way to gain a detailed understanding of transcriptional regulation. Thermodynamic models are able to model the interactions between transcription factors (TFs) and DNA that lead to a specific transcriptional output of the target gene. Such models can be 'trained' by fitt...

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