In this research, the zeolite sodalite, as an inorganic ion exchange material, was chemically produced in the template-free synthesis and evaluated in order to facilitate the sorption of strontium ions from aqueous solutions in batch operations onto acid treated zeolite with dilute H2SO4 solutions. The following indicates what the batch experiments included: a sorbent amount of 0.25 g in 100 mL...

Thermodynamic models and experimental data exhibit the usual systematic and random errors. The severity of their errors depends on their use, such as for process calculations in a process simulator. Similarly, the value of better thermodynamic models andror data should be measured with reference to such use. We have developed techniques for quantification of such thermodynamic-induced process u...

In the present investigation the applicability of various topological indices are tested for the QSPR study on 80 amino acids derivatives. Relationship between the Randic' (1X), Balaban (J), Szeged (Sz), Harary (H), Wiener (W), Hyper-Wiener (WW) and Wiener Polarity (WP) indices to the thermodynamic Properties such as thermal energy Eth (J/mol) and heat capacity (CV J/mol. K) of amino acids is r...

Given significant challenges with available measurements of aerosol acidity, proxy methods are frequently used to estimate the acidity of atmospheric particles. In this study, four of the most common aerosol acidity proxies are evaluated and compared: (1) the ion balance method, (2) the molar ratio method, (3) thermodynamic equilibrium models, and (4) the phase partitioning of ammonia. All meth...

Lattice Monte Carlo and off-lattice molecular dynamics simulations of h1t4 and h4t1 ~head/tail! amphiphile solutions have been performed as a function of surfactant concentration and temperature. The lattice and off-lattice systems exhibit quite different self-assembly behavior at equivalent thermodynamic conditions. We found that in the weakly aggregating regime ~no preferred-size micelles!, a...

Dislocations are the main carriers of plastic deformation in crystalline materials. Physically based constitutive equations crystal plasticity typically incorporate dislocation mechanisms, using a density description microstructure evolution and flow. Typically, such models not formulated thermodynamic framework. Nevertheless, fundamental considerations consistency impose constraints on admissi...