mehg and total mercury concentrations were determined in the muscle tissues of four fish species (cyprinus carpio, rutilus frisii, carassius auratus and esox lucius) from anzali wetland (guilan, iran). fish with the highest amount of mehg was selected to determine the thermodynamic parameters of mehg extraction. the extractions process was performed in the range of temperatures 331.15 to 367.15...

the thermodynamic functions such as enthalpy (h), gibbs free energy (g) and entropy (s) ofpyrazole was theoretically studied at 5 different temperatures 25, 30, 35, 40 and 45°c by usinggussian o3, software. first, the structural optimization of isolated pyrazole was done in the gas phaseby appling the density functional theory (b3lyp) level with 3-21g, 6-31g and 6-31+g(d) basissets. moreover, v...

The reaction of CH₃NH₂ with O₂ on the singlet potential energy surfaces (PES) was carried out using the B3LYP, CCSD(T) and G3B3 theoretical approaches along with 6-311++G(3df,3pd) basis set. The suggested mechanism for the title reaction consists of one pre-reactive complex. From the pre-reactive complex, nine types of products, CH2NH+H2O2, CH3NH+OOH,...

Following the results of cite{Med}, regarding the Aluthge transform of polynomial matrices, the symbolic computation of the Duggal transform of a polynomial matrix $A$ is developed in this paper, using the polar decomposition and the singular value decomposition of $A$. Thereat, the polynomial singular value decomposition method is utilized, which is an iterative algorithm with numerical charac...

S U M M A R Y We present a theory for the computation of phase equilibria and physical properties of multicomponent assemblages relevant to the mantle of the Earth. The theory differs from previous treatments in being thermodynamically self-consistent: the theory is based on the concept of fundamental thermodynamic relations appropriately generalized to anisotropic strain and in encompassing el...

In order to find optimal structures for realistic applications, it is essential include the real material behavior in optimization process. For this purpose, research focuses on thermodynamic topology accounting plasticity which a surrogate model developed. Characteristically, stress/strain diagram resulting from physical loading and unloading shows hysteresis classical models. Our takes only d...

We explored emergent computation within two systems — cellular automata (CA) and a driven Ising model. We attempted to generate emergent computation with a CA using a genetic algorithm, with the aim of understanding general conditions on information processing dynamics which increase computational capacity. Specifically, we aim to search the space of CAs to identify minimal computational units,...