Three-phase equilibrium and partitioning calculations for CO2sequestration in saline aquifers

Storage in Saline Aquifers

CO2 Storage in Saline Aquifers

CO2 Storage in Saline Aquifers — Saline aquifers represent a promising way for CO2 sequestration. Storage capacities of saline aquifers are very important around the world. The Sleipner site in the North Sea is currently the single case world-wide of CO2 storage in a saline aquifer. A general review is given on the specific risks for CO2 storage in saline aquifer. The regional distribution of C...

Optimization of CO2 Sequestration in Saline Aquifers

For optimization of geological carbon sequestration (GCS) in saline aquifers, a genetic algorithm (GA) based optimizer has been developed and combined with the DOE multi-phase flow and heat transfer numerical simulation code TOUGH2 [1],[2]. Designated GA-TOUGH2, this combined solver/optimizer has been validated by performing optimization studies on a number of model problems and comparing the r...

A Subdivision Algorithm for Phase Equilibrium Calculations at High Pressures

Phase equilibrium calculations at high pressures have been a continuous challenge for scientists and engineers. Traditionally, this task has been performed by solving a system of nonlinear algebraic equations originating from isofugacity equations. The reliability and accuracy of the solutions are strongly dependent on the initial guess, especially due to the fact that the phase equilibrium pro...

An Ab initio and chemical shielding tensors calculations for Nucleotide 5’-Monophosphates in the Gas phase

Structural and magnetic properties of purine and pyrimidine nucleotides (CMP, UMP, dTMP, AMP, GMP, IMP) were studied at different levels of ab initio molecular orbital theory. These calculations were performed at the hartree-fock level and density functional B3LYP methods. Geometries were fully optimized by following Cs symmetry restrictions. The standard 6-31G** basis set which includes polari...