Calculation of components

At the beginning of the basic program, the arbitrarily chosen functions for calculation of component equilibrium constants and component enthalpies are shown ... 

CALCULATION OF COMPONENT FLONS FROM TYPICAL STAGE... 

Once procedures for calculating pure-component parameters and mixing rules are established, the calculation of component fugacity coefficients 4>i for both vapor and liquid phases follows standard procedures (see e.g. (4)). For VLE calculations, the distribution of components between phases is expressed generally as the K-value—the vapor mole fraction divided by the liquid mole fraction—related to fugacity coefficients for each component by ... 

Relative activities of dissolved components imder real conditions are in direct relation with their concentration or partial pressure. Proportionality coefficient of such interrelation is called fugacity coefficient for a case of non-polar components and activity coefficient for polar ones. These coefficients enable the calculation of components activities from values of their partial pressures or concentrations ... 

McLachlan calculation of spin densities and calculation of components of the anisotropic hyperfine tensors for twist angles of 0° and 25°. 

The method has further useful development in calculation of components of solubility parameters based on principles of Hansen s approach." It may be expected that useful results will also come from analysis of donor and acceptor parameters used in TDM-approach (see Chapter 4). 

Fig. 4.11 lAST calculations of component loadings of CO2 and (N2 + O2) in the adsorbed phase with selected materials. The total bulk gas pressure is 100 kPa and contains 400 ppm CO2,... 

The degree of file mutual influence of lanthanide ion electronic shells is determined by the tensor (eqs. 77, 73). Until recently no rigorous calculations of components of 17 had been done. Crude estimates may be carried out, neglecting the dispersion of optical branches. Using the following equations between file constants of coupling with even (y g) and odd (7,) optical vibrations of the R-ions, linked with each other through an inversion. 

The purpose of the chapter was quantum-chemical calculation of components of synthesis of acetyl chloride (HI) and 5-acetylojgrmethyl-2-chlorine-5-ethyl-l,2,3-dioxaphosphorynan (II) and a product l-[2-(o-acetylmethyl)-3-o-acetyl-2-ethyl]-methyldichlorinephosphite (I) by method AB INITIO in basis 6-3IIG, a theoretical estimation of their acid force and an establishment of dependence between acid force of components of synthesis pKa (HI) and pKa (II) and pKa (I). 

Table 3 Values of Parameter for Calculation of Components of Vapor Pressures Over Different SiC Polytypes...

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