The Naming Games (NG) are agent-based models for agreement dynamics, peer pressure and herding in social networks, and protocol selection in autonomous ad-hoc sensor networks. By introducing a small noise term to the NG, the resulting Markov Chain model called Noisy Naming Games (NNG) are ergodic, in which all partial consensus states are recurrent. By using Gibbs-Markov equivalence we show how...

Mechanisms of the deamination reactions of isoguanine with H2O, OH(-), and OH(-)/H2O and of protonated isoguanine (isoGH(+)) with H2O have been investigated by theoretical calculations. Eight pathways, paths A-H, have been explored and the thermodynamic properties (ΔE, ΔH, and ΔG), activation energies, enthalpies, and Gibbs energies of activation were calculated for each reaction investigated. ...

The heat capacity of a Ni36Nb24Zr40 glassy alloy was measured by adiabatic calorimetry from 13 to 300K. The smoothed values of molar heat capacity were calculated from the data using a least-squares method. The standard enthalpy, entropy, and Gibbs energy were calculated from the smoothed heat capacity values. Assuming Hð0Þ 1⁄4 0 and Sð0Þ 1⁄4 0 at 0K, the heat capacity, enthalpy, entropy, and G...

We introduce a simple and predictive model for determining the phase stability of ternary phospholipid-cholesterol mixtures. Assuming that competition between the liquid and gel order of the phospholipids is the main driving force behind lipid segregation, we derive a Gibbs free energy of mixing, based on the thermodynamic properties of the lipids main transition. A numerical approach was devis...

in this work, we have studied the solvent effects on values of gibbs free energy, enthalpy. entropy and dipolemoment in spread of solvents around anticancer thug of temreolomide that is an alighting agent. for thispurpose, the quantum mechanic calculations bawd on hanrertnick theory at the sto-36/3-2ith levels havebeen done. moreover, we have compared resulted thermodynamic values in gas phase ...

Chemical composition of interfaces—free surfaces and grain boundaries—is generally described by the Langmuir–McLean segregation isotherm controlled by Gibbs energy of segregation. Various components of the Gibbs energy of segregation, the standard and the excess ones as well as other thermodynamic state functions—enthalpy, entropy and volume—of interfacial segregation are derived and their phys...

The entropically based nonlinear Adam-Gibbs equation is discussed in the context of phenomenologies for nonlinear enthalpy relaxation within the glass transition temperature range. In many materials for which adequate data are available, the nonlinear Adam-Gibbs parameters are physically reasonable and agree with those obtained from linear relaxation data and thermodynamic extrapolations. Obser...

We have formulated the mixing Gibbs energy density for the micelle phase of an amphiphilic block copolymer solution using mean-field lattice theory. We have found a transition between the micellization and the liquid–liquid phase separation in this solution by comparing the mixing Gibbs energy density for the micelle phase with that for the homogeneous phase. Micellization is preferred over the...

the interaction of fe2+ ion with pyrazole was theoretically studied by gussian 03, software at hf/(lanl2dz+6-31g) and hf/ (lanl2dz+6-31g (d)) levels in gas phase and solution. in this study acompartion between optimized structures of pyrazole molecule in aspect of thermodynamicparameters such as enthalpy (h°), gibbs free energy (g°) and entropy (s°) in presence of metallic ion(fe2+), was perfor...