Reservoir Additive Screening for Carbonate Wettability Alteration
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Solution Overview
Problem
Current methods for enhanced oil recovery from carbonate reservoirs lack a thorough mechanistic understanding of surfactant-induced wettability alteration due to improper modeling of surface planes and oil properties, leading to ineffective simulation results.
Innovation Solution
Utilize molecular dynamics simulations to accurately model the interaction between simulated oil and surface, considering experimentally observed properties of calcite surfaces and polar components of oil, to systematically evaluate the effectiveness of various surfactants in altering wettability.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If conventional computer simulations are used to study wettability alteration, then computational resources are saved, but the simulation results are not meaningful for practical applications due to unrealistic modeling assumptions
Solution Approach 1:
The patent performs preliminary actions by establishing accurate molecular models of calcite surfaces with correct crystallographic planes ({1,0,-1,4}) and realistic oil compositions (naphthenic and aromatic components) before conducting simulations. This preliminary modeling ensures that subsequent simulations produce meaningful results for practical applications without requiring excessive complexity during the actual simulation phase.
Solution Approach 2:
The patent changes key modeling parameters from conventional simplifications to realistic values: using correct calcite surface planes ({1,0,-1,4} instead of {-1,0,0}), realistic oil composition (naphthenic and aromatic hydrocarbons instead of pure aliphatic), and proper molecular orientations. These parameter changes improve simulation accuracy while maintaining computational feasibility.
2Reliability
If extensive lab-based testing of surfactants is conducted, then reliable wettability alteration data is obtained, but time and cost resources are significantly consumed
Solution Approach 1:
The patent creates virtual copies of lab testing through molecular dynamics simulations that replicate the physical and chemical interactions between surfactants, oil, and calcite surfaces at the molecular level. These computational models produce reliable predictive data for surfactant performance, reducing the need for extensive physical testing while maintaining selection reliability.
Solution Approach 2:
The patent substitutes mechanical lab-based testing with computational molecular dynamics simulations. The simulation system replaces physical experimentation by calculating molecular interactions, surfactant adsorption, and wettability alteration mechanisms through numerical methods, thereby reducing time and cost while maintaining reliability through accurate molecular modeling.
3Productivity
If simplified oil models (bulk phase aliphatic hydrocarbons) are used in simulations, then computational efficiency is improved, but the mechanistic understanding of oil adsorption on carbonate surfaces is inaccurate
Solution Approach 1:
The patent applies local quality by differentiating the molecular composition and properties of oil components that interact with the calcite surface versus the bulk oil phase. The model specifically represents naphthenic and aromatic hydrocarbon molecules with their characteristic ring structures and functional groups at the oil-rock interface, while maintaining computational efficiency through selective molecular detail where it matters most for adsorption mechanisms.
Applied Scientific Principles
This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.
Function Achieved in This Case
Enables efficient selection of additives for enhanced oil recovery by simulating molecular-level interactions, reducing the need for costly lab-based testing and providing insights into surfactant performance in realistic systems.
Implementation Method 1
determine a three-dimensional molecular association between simulated oil and a simulated surface using molecular dynamics
Implementation Method 2
Additives, such as surfactants, can be used to alter the wettability of the oil-wet surfaces of carbonate reservoirs to become more water-wet
Implementation Method 3
the mechanisms of the interaction between the two
Data Source
AI summary
Embodiments of the present disclosure generally relate to methods and apparatus for enhanced oil recovery. In an embodiment, a method of enhanced oil recovery from a reservoir is provided. The method includes determining a three-dimensional molecular association between simulated oil and a simulated surface using molecular dynamics, and selecting a reservoir additive from a plurality of additives. The method further includes introducing the reservoir additive to the reservoir, and recovering oil from the reservoir using the reservoir additive. Methods of testing a candidate chemical or candidate formulation for use in enhanced oil recovery, and methods of determining an effect of a candidate chemical or formulation of candidate chemicals for use in enhanced oil recovery are also described. Oil extraction apparatus are also provided.