نتایج جستجو برای: equilibrium calculations
تعداد نتایج: 236783 فیلتر نتایج به سال:
In this study a simple and general chemical association theory is introduced. The concept of infinite equilibrium model is re-examined and true mole fractions of associated species are calculated. The theory is applied to derive the distribution function of associated species. As a severe test the application of presented theory to the van der Waals mixture model is introduced in order to p...
Liquid-liquid equilibrium (LLE) problems such as phase stability analysis, phase equilibrium calculations, chemical equilibrium calculations, binary interaction parameter identification of thermodynamic models and other problems of fluid characterization have been the core subject of many recent studies. This study introduces Cuckoo Search (CS), Firefly Algorithms (FA) and its variants as p...
abstract the influence of cation?? and anion?? interactions on the strength and nature of n…h hydrogen bond has been investigated by quantum chemical calculations in s-triazine…3hf complex. ab initio calculations were performed at mp2/6-311++g(d,p) level of theory. the natural bond orbital (nbo) analysis and the bader’s quantum theory of atoms in molecules (aim) were also used to elucidate t...
Abstract The accurate calculations of adsorption equilibrium for multicomponent gas systems are of great importance in many applications. In this paper, five two-dimensional equations of state 2D-EOS, i.e. Van der Waals, Eyring, Zhou-Ghasem-Robinson, Soave-Redlich-Kwong and Peng-Robinson, were examined to find out their abilities to predict adsorption equilibrium for pure and multi-component ga...
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