Solvent Systems

Non-Aqueous Biocatalysis in Homogeneous Solvent Systems

Enzymes are highly specific catalysts that typically function in aqueous solvents. However, many enzymes retain their catalytic activities at high concentrations in non-aqueous environments, including neat hydrophilic organic solvents. In fact, enzymes can be used to carry out reactions in organic solvents that are not possible in aqueous systems. Therefore, biocatalysis in homogenous non-aqueo...

Solubility and solvation in mixed solvent systems

The solubility of solutes in mixed solvents depends primarily on the solvation of the solutes or their constituent ions by the components of the solvent mixtures. Complications may arise if different crystal solvates are formed or if solute-solute interactions are appreciable. In their absence the standard molar Gibbs energies of solution measure the corresponding quantities of solvation, ASOIV...

Multi-Component Diffusion in Polymer-Solvent Systems

Lattice Boltzmann Simulation of Polymer-solvent Systems

Received (received date) Revised (revised date) We investigate a new method for simulating polymer-solvent systems which combines a lattice Boltzmann approach for the uid with a continuum molecular dynamics (MD) model for the polymer chain. The two parts are coupled by a friction force which is proportional to the diierence of the monomer velocity and the uid velocity at the monomer's position....

Monte Carlo studies of two-dimensional polymer–solvent systems

The static properties of two-dimensional athermal polymer solutions were studied by performing Monte Carlo lattice simulations using the cooperative motion algorithm (CMA) and taking into account the presence of explicit solvent molecules. The simulations were performed for a wide range of polymer chain lengths N (16-1024) and concentrations φ (0.0156-1). The results obtained for short chains (...