Ionic interactions in solutions. IV. Conductance theory of binary electrolytes for hamiltonian models

From the basic equations for the pair distribution function in nonequilibrium, solution methods are elaborated. It is verified that the distribution functions depend on conductance coefficients, which lead to feedback loop or echo effects. For explicit calculation the strong-coupling approximation for distances smaller than the Bjerrum distance proves to be practical and efficient. It can be applied to any Hamiltonian models for the system without complicated mathematics. A method of deriving information concerning the Gurney cosphere overlap effects is presented.     

Conductance Theory of Nonideal Plasmas

The conductivity of nonideal plasmas is investigated by using the kinetic theory as well as the Kubo-type correlation function theory. The effects of dynamical screening, short range forces and the Debye-Onsager relaxation effect on the conductance problem are considered without and with quantum mechanical corrections. For some special plasmas it is found that deviations from Coulomb's law and quantum effects have only a small effect on the conductivity, whereas the numerically most important effects are connected with the dynamical screening and with the Debye-Onsager relaxation force.     

Sulfur-containing palladacycles as catalyst precursors for the Heck reaction

[formula: see text] The air, water, and highly thermally stable sulfur-containing palladacycles, mainly derived from the ortho-palladation of benzylic thioethers, are exceptional catalyst precursors for the Heck reaction. The reaction can be performed with aryl lodides, bromides, and chlorides, with acrylic esters and styrene, leading to turnover numbers up to 1,850,000.     

High electrical conductivity in nonlinear model lattice crystals mediated by thermal excitation of solectrons

The quantum statistics of electrons interacting with nonlinear excitations of a classical heated nonlinear lattice of atoms is studied. By using tight-binding approximation, Wigner momentum distributions and computer simulations we show the existence of quite fast and nearly loss-free motions of charges along crystallographic axes and estimate the range of values of transport coefficients. Using minimization of free energy we estimate the density of mobile bound states between electrons and lattice solitons (so-called solectrons). We calculate the momenta of Wigner velocity distributions and from Kubo relations the diffusivity and the electrical conductivity using the relaxation time approximation. We show that thermally excited solectrons in nonlinear media may lead to a significant transport enhancement. Our estimates and computer simulations demonstrate the existence of a temperature window, where solectrons are relatively stable and contribute strongly to transport. The electrical conductivity may be enhanced up to two orders of magnitude.     

On the possibility of electric transport mediated by long living intrinsic localized solectron modes

We consider a polaron Hamiltonian in which not only the lattice and the electron-lattice interactions, but also the electron hopping term is affected by anharmonicity. We find that the one-electron ground states of this system are localized in a wide range of the parameter space. Furthermore, low energy excited states, generated either by additional momenta in the lattice sites or by appropriate initial electron conditions, lead to states constituted by a localized electron density and an associated lattice distortion, which move together through the system, at subsonic or supersonic velocities. Thus we investigate here the localized states above the ground state which correspond to moving electrons. We show that besides the stationary localized electron states (proper polaron states) there exist moving localized solectron states which can be easily excited. The evolution of these localized states suggests their potential as new carriers for fast electric charge transport.