Patent ID: 8589130

Claim:
A computer-implemented method of selecting an additive for enhanced recovery from a subterranean hydrocarbon reservoir comprising the steps of: using a set of said parameters to determine, at a first level of molecular dynamic modeling, an effect of said additive on interfacial tension between hydrocarbon and water/brine wherein the first level includes an atomistic representation of constituent elements, wherein the set of parameters includes: a first parameters characterizing at least one of (1) rock type and surfaces in the reservoir, (2) pore geometry (3) pore distribution, (4) hydrocarbons, or (5) other constituent elements identified a being present in said reservoir; a second parameter characterizing an injection fluid to be injected into said reservoir; and a third parameter characterizing (1) said additive to be added to said injection fluid and (2) a concentration of the additive; a fourth parameters setting a temperature and pressure; using said set of parameters and said effect of said additive on interfacial tension derived from said first level of molecular dynamic modeling to determine, at a second coarser level of molecular dynamic modeling wettability effects, wherein the second level includes united atom models constituent element; and using said a set of parameters and said effect of said additive on interfacial tension derived from said first level of molecular dynamic modeling and said wettability effects derived from said second level of molecular dynamic modeling to determine, at a third coarser level of molecular dynamic modeling, imbibition or drainage effects, where the third level includes a coarse-grain model of constituent elements; and wherein interfacial tensions are determined at the first, second and third level of molecular modeling based on the effects of wettability and drainage or imbibition at each level of molecular dynamic modeling and wherein parameters are altered to match interfacial tensions between the first, second and third levels of molecular dynamic modeling.