Cassandra: An open source Monte Carlo package for molecular simulation.

Cassandra is an open source atomistic Monte Carlo software package that is effective in simulating the thermodynamic properties of fluids and solids. The different features and algorithms used in Cassandra are described, along with implementation details and theoretical underpinnings to various methods used. Benchmark and example calculations are shown, and information on how users can obtain the package and contribute to it are provided.

Evaluation of the bioremoval of Cr(VI) and TOC in biofilters under continuous operation using response surface methodology.

In the present study, the bioremoval of Cr(VI) and the removal of total organic carbon (TOC) were achieved with a system composed by an anaerobic filter and a submerged biofilter with intermittent aeration using a mixed culture of microorganisms originating from contaminated sludge. In the aforementioned biofilters, the concentrations of chromium, carbon, and nitrogen were optimized according to response surface methodology. The initial concentration of Cr(VI) was 137.

Removal of petroleum hydrocarbons from aqueous solution using sugarcane bagasse as adsorbent.

In the present work, the adsorption ability of sugarcane bagasse to remove oil by-products from aqueous solution was evaluated. The objective was treating the contaminated wastewater while enriching the bagasse for its later use as fuel in boilers. Adsorption experiments were carried out in an agitated reactor at room temperature to obtain kinetic curves and adsorption isotherms of gasoline and n-heptane on sugarcane bagasse.