Recent extension of mean spherical approximation (MSA) for electrolyte solution has been employed to investigate the non-ideality in Born-free energy of solvation of a rigid, mono-positive ion in binary dipolar mixtures of associating (ethanol–water) and non-associating (dimethylsulfoxide– acetonitrile) solvents. In addition to the dipole moments, the solvent size ratio and ion size have been t...

The thermodynamic properties of the supercooled liquid state of the mW model of water show anomalous behavior. Like in real water, the heat capacity and compressibility sharply increase upon supercooling. One of the possible explanations of these anomalies, the existence of a second (liquid-liquid) critical point, is not supported by simulations for this model. In this work, we reproduce the an...

1. Definition of Catalytic Properties 1.1. Conversion 1.2. Selectivity 1.3. Yield 1.4. Catalyst Deactivation and Sustainability 2. Reactor Types 2.1. Batch Reactor 2.2. Perfectly Mixed Flow Reactor 2.3. Plug Flow Reactor 3. Intrinsic Kinetics 3.1. External Mass and Heat Transport Limitations 3.2. Internal Mass and Heat Transport Limitations 3.3. Flow Pattern Ideality 4. Specific Reactor Types 4...

The bias dependent interface charge is considered as the origin of the observed non-ideality in current-voltage and capacitance-voltage characteristics. Using the simplified model for the interface electronic structure based on defects interacting with the continuum of interface states, the microscopic origin of empirical parameters describing the bias dependent interface charge function is inv...

Hydrodynamic techniques such as analytical ultracentrifugation can provide key information about subunit stoichiometry and interaction strengths of protein-nucleic acid interactions. Analysis is complicated by (i) the need for low concentrations in order to observe both free and bound species and (ii) thermodynamic non-ideality. With the introduction of fluorescence optics, we are able to obtai...

serum albumin is the most abundant protein in blood plasma. its two major roles are maintaining osmoticpressure and depositing and transporting compounds. in this paper albumin-ethanol/water solutionssimulations are carried out by three techniques including monte carlo (mc), molecular dynamic (md) andlangevin dynamic (ld) simulations in aqueous solutions. investigation the energy changes with t...

We consider the adiabatic equation of state for partially ionized non{ideal plasma. Plasma isentropes are calculated with the Pad e technique in the chemical picture. The interplay of ionization/dissociation equilibrium and non{ideality is investigated.