A Toy Model of an artificial chemistry that treats molecules as graphs was implemented based on a simple Extended Hückel Theory method. Here we describe an extension of the model that models chemical reactions as the result of “collisions”. In order to avoid a possible bias arising from prescribed generic reaction mechamisms, the reactions are simulated in a way that treats the formation and br...

A simple analytical approach to estimate thermodynamic properties of model Yukawa systems is presented. The approach extends the traditional Debye-Hückel theory into the regime of moderate coupling and is able to qualitatively reproduce thermodynamics of Yukawa systems up to the fluidsolid phase transition. The simplistic equation of state (pressure equation) is derived and applied to the hydro...

We present several aspects of the screening of charged macromolecules in an electrolyte. After a review of the basic mean field approach, based on the linear Debye-Hückel theory, we consider the case of highly charged macromolecules, where the linear approximation breaks down and the system is described by the full nonlinear Poisson-Boltzmann equation. Some analytical results for this nonlinear...

Besides the most common form of aromaticity involving a π-ring, hexaiodobenzene and hexakis(phenylselenyl)benzene dications also present σ-aromaticity in outer ring formed by main group substituents. These two compounds are considered σ- π-double aromatic, their characterization is special interest to fields organic structural chemistry. In this work, we decided explore double substituted tropy...

A simple analytical approach to estimate thermodynamic properties of model Yukawa systems is presented. The approach extends the traditional Debye-Hückel theory into the regime of moderate coupling and is able to qualitatively reproduce thermodynamics of Yukawa systems up to the fluid-solid phase transition. The simplistic equation of state (pressure equation) is derived and applied to the hydr...

An analysis is given of several biologically important processes, connected with the crystallization and kinetics of liophilization in aqueous physiological solutions. These are glass formation and vitrification of life, precipitation of slightly soluble salts and kinetics of crystallization in human urine, and the solution of CaOX concretions under the influence of biocompatible solubilizators...

A Toy Model of an artificial chemistry that treats molecules as graphs was implemented based on a simple Extended Hückel Theory method. Here we describe an extension of the model that models chemical reactions as the result of “collisions”. In order to avoid a possible bias arising from prescribed generic reaction mechanisms, the reactions are simulated in a way that treats the formation and br...

Nuclear electron capture rate from continuum in an astrophysical plasma environment (like solar core) is calculated using a modified Debye–Hückel screening potential and the related non-Gaussian q-distribution of electron momenta. For q = 1 the well-known Debye–Hückel results are recovered. The value of q can be derived from the fluctuation of number of particles and temperature inside the Deby...

In their seminal paper of 1923, Debye and Hückel provided the first appropriate description effect ionic strength on thermodynamic properties dilute electrolyte solutions. This landmark work paved way for what was later called primitive model electrolytes. At this level, an solution is modeled as a collection charged hard spheres in dielectric continuum that manifests itself only through its co...