Development of efficient formulation for the removal of iron sulphide scale in sour production wells

Iron sulphide scale, which exists in different forms, is common in sour oil and gas production wells. Iron sulphide hard scales are difficult to remove with acids, requiring mechanical intervention or the replacement of the production tubing. An environmentally friendly formulation with a high pH is proposed for the removal of both soft and...

Solubility of sulfur compounds in commercial physical solvents and an ionic liquid from Monte Carlo simulations

Natural gas, synthesis gas, and flue gas typically contain a large number of impurities (e.g., acidic gases), which should be removed to avoid environmental and technological problems, and to meet customer specifications. One approach is to use physical solvents to remove the acidic gases. If no experimental data are available, the solubility...

Thermodynamic and transport properties of crown-ethers: Force field development and molecular simulations

Crown-ethers have recently been used to assemble porous liquids (PLs), which are liquids with permanent porosity formed by mixing bulky solvent molecules (e.g., 15-crown-5 ether) with solvent-inaccessible organic cages. PLs and crown-ethers belong to a novel class of materials, which can potentially be used for gas separation and storage, but...

Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands

Cation exchange is a powerful tool for the synthesis of nanostructures such as core–shell nanocrystals, however, the underlying mechanism is poorly understood. Interactions of cations with ligands and solvent molecules are systematically ignored in simulations. Here, we introduce the concept of pseudoligands to incorporate cation-ligand-solvent...