Last modified: 2017-10-10
Abstract
Carbon dioxide is an important greenhouse gas and it contributes about 60 % to global warming. One option of the carbon dioxide mitigation is carbon capture and sequestration (CCS). Absorption based technology for carbon capture is much mature process. Performance of absorption based process depends mainly on the choice of solvent. The objective of this study is to model the phase equilibria of acid gas mixture with newly introduce solvent such as dimethyl carbonate (DMC) and diethyl carbonate (DEC). Both solvents have high selectivity for carbon dioxide absorption. Perturbed chain statistical association fluid theory (PC SAFT) equation of state (EoS) is used for phase equilibria modeling. PC SAFT EoS is based on statistical mechanics due to which this theory is predictive in nature. PC SAFT equation estimates the residual or non-ideal part of any property in term of intermolecular forces such as London dispersion force and repulsion forces. Pure component parameters required for the modeling of this equation is estimated by regression of pressure, density and temperature data. Binary interaction parameters for multi-component mixture are calculated by regression of VLE data. Levensberg Marquarsdt algorithm is used for regression. This study is limited to the following components: hydrogen sulfide, carbon dioxide, methane, DMC and DEC. Both pure components and binary interaction parameters were estimated and the results were analyzed based on percent absolute average deviation (AAD %). This percent deviation of less than 2 % in all components and mixtures confirmed the good performance of PC SAFT EoS for this type of modeling.