Sharif Digital Repository

HYPOTHESIS: The saltwater-oil interface is of broad implication in geochemistry and petroleum disciplines. To date, the main focus has been on the surface contribution of polar, heavy compounds of crude oil, widely neglecting the role of non-polar hydrocarbons. However, non-polar compounds are expected to contribute to characteristics of oil-brine interfaces. METHODOLOGY: Utilizing molecular dynamics simulation, we aim to characterize ion behavior adjacent to hydrophobic organic phases. Concerning natural environments, NaCl, CaCl2 and Na2SO4 electrolytes at low (5 wt%) and high (15 wt%) concentrations were brought in contact with heptane and/or toluene which account for aliphatic and... 

The efficiency of water flooding methods is known to improve by applying ion-tuned water injection. Although there is a consensus that such improvement happens through reversing reservoir wettability characteristics to more water-wet state, the true impact of ions is still ambiguous among contradictory debates. The well-known molecular dynamics (MD) simulation techniques would shed light on such ambiguities to gain deep atomic-scale understanding of the process. Results from MD simulations show that the presence of Na+ and Cl¯ ions leads to the formation of an electrical double layer in adjacency of calcite surface while Mg2+ ions dominantly make complexes with hydrocarbons throughout the... 

There are different thermodynamic models that have been applied for modelling of asphaltene precipitation caused by various reasons, such as solvent/CO2 injection and pressure depletion. In this work, two computer codes based on two different asphaltene precipitation thermodynamic models-the first being the thermodynamic micellization model with a different characterization approach and the second being the solid model-have been developed and used for predicting asphaltene precipitation data reported in the literature as well as in the obtained data for Sarvak reservoir crude, which is one of the most potentially problematic Iranian heavy oil reserves under gas injection conditions. For the... 

There are different thermodynamic models that have been applied for modelling of asphaltene precipitation caused by various reasons, such as solvent/CO2 injection and pressure depletion. In this work, two computer codes based on two different asphaltene precipitation thermodynamic models-the first being the thermodynamic micellization model with a different characterization approach and the second being the solid model-have been developed and used for predicting asphaltene precipitation data reported in the literature as well as in the obtained data for Sarvak reservoir crude, which is one of the most potentially problematic Iranian heavy oil reserves under gas injection conditions. For the...