Asphaltene Aggregation Research Articles

Co-adsorption behavior of aggregated asphaltenes and silica nanoparticles at oil/water interface and its effect on emulsion stability

In petroleum industry, crude oil emulsions are commonly formed in oilfields. The asphaltenes and fine particles in crude oil may affect the stability of the emulsions by adsorbing at the water/oil interface. In this research, the effect of silica nanoparticles and asphaltenes on emulsion stability is explored first. The asphaltenes are proved to benefit emulsion stability. Unlike the asphaltenes, however, the modified silica nanoparticles may have positive or negative effect on emulsion stability, depending on the asphaltene concentration and aggregation degree in the emulsions. Further, it is confirmed by conducting interfacial experiment that the asphaltenes and particles can adsorb at the interface simultaneously and determine the properties of the interfacial layer. More in-depth experiments concerning contact angle and asphaltene adsorption amount on the particles indicate that the asphaltenes can modify the wettability of the particles. Higher concentration and lower aggregation degree of the asphaltenes can increase their adsorption amount on the surface of particles and then improve the modification effectiveness of the particles. Resultantly, the particles with good modification effectiveness can enhance the emulsion stability while the particles with poor modification effectiveness will weaken the emulsion stability.

Tetraalkylammonium and phosphonium salt for asphaltene dispersion; experimental studies on interaction mechanisms

Asphaltenes deposition is one of the most severe problems in the petroleum industry, imposing high costs on oil producer companies. The use of chemical dispersants reduces the risk of asphaltene deposition. For this purpose, a variety of chemicals with different structures and functional groups were designed and synthesized. Organic quaternary salts, such as ionic liquids, have been widely used to control asphaltene deposition over the last two decades, but the mechanism of their interaction with asphaltene has not been studied in detail. In this study, the interaction of ten commercial quaternary ammonium and phosphonium salts with asphaltene molecules was investigated using ultraviolet-visible (UV-Vis) spectroscopy. It was observed that the size, shape, and hydrophobicity of their cations or anions play an essential role in the dispersion of asphaltene aggregations. The results showed that the interaction of these quaternary salts is strongly influenced by the hydrophobic nature of the salt, and salts with more hydrophobic cations and anions, such as tetrabutylammonium iodide, tetrabutylammonium hexafluorophosphate, and cetyltrimethylammonium bromide, can better disperse asphaltene aggregations. The results also revealed that the role of anions such as iodide, and hexafluorophosphate in the dispersion of asphaltene aggregates is more important than cations. In addition, the results showed that except for tetramethylammonium bromide, the efficiency of the salts was increased with increasing concentration.

Effects of paraffin wax content and test temperature on the stability of water-in-model waxy crude oil emulsions

Waxy crude oil is important fossil energy containing both paraffin wax and some asphaltene. The interactions between paraffin wax and asphaltene not only affect the crude oil rheology, but also the stability of crude oil emulsion. To further understand the influences of paraffin waxes on the W/O emulsion stability, in the course of this work, the effects of paraffin wax content and test temperature on the stability of W/O emulsions (with fixed asphaltene concentration of 0.5 wt%) were investigated grounded on the physical property tests of the oils, macroscopic stability measurement of the emulsions, microscopic observation of the emulsions and oil-water interfacial properties test. The results indicated that increasing the paraffin content enhances the WAT of the oils but weakens the asphaltene stability in the oil phase thus leading to the aggregation of asphaltene into a bigger size. The rheology of the model waxy oils deteriorates greatly with increasing the content of paraffin wax. The emulsion stability is outstandingly affected by the test temperature. At 30 °C (much more than the WAT), increasing the paraffin wax content benefits the asphaltene adsorption at the oil-water interface, which then reduces the interfacial tension but increases the strength of the asphaltene film formed at the interface, this facilitates the formation of smaller water droplets and improves the stability of the emulsion to some extent. At a test temperature of 15 °C (well below the WAT), increasing the content of paraffin wax also facilitates the formation of a stronger network structure of wax crystals, which dramatically improves the emulsion stability by immobilizing water droplets in the network. Meanwhile, the water droplets in the emulsion containing 15 wt% paraffin wax have the smallest size and largest number, and can efficiently act as the wax crystal nucleators thus dramatically changing the precipitated wax crystals into very small particles and facilitating the development of a wax crystal film around the droplets. This film also helps to improve the stabilization of the emulsion.

Solution techniques for population balance equation: A case study for asphaltene aggregation

Population balance equation is widely used in modeling of particulate processes. In this work, the enlargement of asphaltene particles in a synthetic heptane-toluene mixture (Heptol) was experimentally investigated in a static mode and then modeled by using PBE. Aggregation is considered as sole responsible mechanism for size evolution. Three solution methods including two discretization methods, modified Hounslow (MH) method and Kumar cell average technique (KCAT), and one moment method, quadrature method of moments (QMOM), are considered. The simulation results were compared with experimental data to evaluate each method. The results of simulations indicate that moment method offers higher accuracy and less computational expense respect to discretized methods in prediction of asphaltenes aggregation. In the case of considering fractal structure, both methods inaccurately predicted the number and average diameter of asphaltene aggregates.

Nondestructive investigation on hydrocarbons occluded in asphaltene matrix: The evidence from the dispersive solid-phase extraction

Asphaltenes are the heaviest compound group in crude oil. The complex and porous macromolecular network of asphaltenes both adsorbs and occludes small hydrocarbon molecules, which are considered source-related petroleum biomarkers as they are shielded from secondary alterations. The current method to isolate the occluded content involves mild oxidative degradation of asphaltenes with CH3COOH/H2O2, but it is generally not suitable for quantitative studies, as side reactions that chemically alter the bound hydrocarbons are difficult to mitigate. In the current study, we compared the performance of dispersive solid-phase extraction (DSPE) and mild oxidative degradation in isolating asphaltene-occluded hydrocarbons, using Lower Cambrian solid bitumen from northwestern Sichuan and Ordovician crude oil from the Tazhong area of Xinjiang, China. We demonstrated that DSPE was effective in extracting occluded hydrocarbons from asphaltene aggregates without undesirable chemical alterations, thereby allowing subsequent quantitative analysis. Further investigations revealed that the chemical composition of the occluded n-alkanes provided useful information with regard to the origin of the petroleum. Importantly, the enrichment of aromatic hydrocarbons inside the asphaltene aggregates, particularly the relative abundance of different methylphenanthrene isomers, provided crucial experimental evidence in support of our earlier hypothesis that the occluded hydrocarbons were protected from secondary alterations, and therefore had remained relatively stable over a long geologic period.

Fundamentals of secondary process aids in oil sands extraction

AbstractThe application of sodium citrate (Na3Cit) as a secondary process aid (SPA) in combination with caustic (NaOH) was found to significantly improve the recovery and froth quality in oil sands extraction. Over the past several years, our group has been investigating the benefits of the combined application of Na3Cit and NaOH in oil sands extraction and the fundamental science involved. This review summarizes the recent developments and understandings based on experimental observations and theoretical analysis. Experimental techniques used to investigate different sub‐steps and the fundamental science involved in bitumen extraction are also discussed. Both the ideal system and the process water system are considered. Generally, the results show that the combined addition of Na3Cit and NaOH has a synergistic effect on enhancing the bitumen recovery, especially benefitting the bitumen liberation and coalescence, and preventing slime coating. The key fundamentals behind those benefits are Na3Cit chelating with metal cations in the extraction system and adsorbing on different interfaces. Therefore, the more negative zeta potential of bitumen, silica, clay, and air bubble was observed. The increased electrostatic repulsion and reduced adhesion are the main reasons for Na3Cit enhancing bitumen liberation. Through de‐activating the divalent cations in the bulk, Na3Cit eliminates slime coating and potentially helps bitumen droplets coalesce. Meanwhile, Na3Cit breaks asphaltene aggregates and lowers the interfacial tension of the bitumen/water interface by removing the metal‐bridge between surfaces‐active species contained in bitumen. The findings of this study provide a better understanding of the use of processing aids for the bitumen extraction process.

Asphaltene Precipitation and Deposition under Miscible and Immiscible Carbon Dioxide Gas Injection in Nanoshale Pore Structure

Summary Asphaltene precipitation and deposition is considered one of the prevailing issues during carbon dioxide (CO2) gas injection in gas enhanced oil recovery techniques, which leads to pore plugging, oil recovery reduction, and damaged surface and subsurface equipment. This research provides a comprehensive investigation of the effect of immiscible and miscible CO2 gas injection in nanopore shale structures on asphaltene instability in crude oil. A slimtube was used to determine the minimum miscibility pressure (MMP) of the CO2. This step is important to ensure that the immiscible and miscible conditions will be achieved during the filtration experiments. For the filtration experiments, nanocomposite filter paper membranes were used to mimic the unconventional shale pore structure, and a specially designed filtration apparatus was used to accommodate the filter paper membranes. The uniform distribution (i.e., same pore size filters) was used to illustrate the influence of the ideal shale reservoir structure and to provide an idea on how asphaltene will deposit when utilizing the heterogeneous distribution (i.e., various pore size filters) that depicts the real shale structure. The factors investigated include immiscible and miscible CO2 injection pressures, temperature, CO2 soaking time, and pore size structure heterogeneity. Visualization tests were undertaken after the filtration experiments to provide a clear picture of the asphaltene precipitation and deposition process over time. The results showed an increase in asphaltene weight precent in all experiments of the filtration tests. The severity of asphaltene aggregations was observed at a higher rate under miscible CO2 injection. It was observed that the miscible conditions have a higher impact on asphaltene instability compared to immiscible conditions. The results revealed that the asphaltene deposition was almost equal across all the paper membranes for each pressure used when using a uniform distribution. Higher asphaltene weight percent were determined on smaller pore structures of the membranes when using heterogeneous distribution. Soaking time results revealed that increasing the soaking time resulted in an increase in asphaltene weight precent, especially for 60 and 120 minutes. Visualization tests showed that after 1 hour, the asphaltene clusters started to precipitate and could be seen in the uppermost section of the test tubes and were fully deposited after 12 hours with less clusters found in the supernatant. Also, smaller pore size of filter membranes showed higher asphaltene weight percent after the visualization test. Chromatography analysis provided further evaluation on how asphaltene was reduced though the filtration experiments. Microscopy and scanning electron microscopy (SEM) imaging of the filter paper membranes showed the severity of pore plugging in the structure of the membranes. This research highlights the impact of CO2 injection on asphaltene instability in crude oil in nanopore structures under immiscible and miscible conditions. The findings in this research can be used for further research of asphaltene deposition under gas injection and to scale up the results for better understanding of the main factors that may influence asphaltene aggregation in real shale unconventional reservoirs.

Asphaltene aggregation and deposition in pipeline: Insight from multiscale simulation

Understanding the colloidal structure of crude oil in pipeline is of great significance for finding effective solutions to remediate and prevent the aggregation and deposition of asphaltene during transport process. Here, combing large-scale structural-unit-based dissipative particle dynamics simulations and all-atom molecular dynamics simulations, the colloidal structure and interatomic interactions of crude oil in the pipeline are studied. The analysis of structural characteristics of asphaltene aggregates demonstrates that temperature, pressure, and flow speed jointly affect the colloidal structure of crude oil at mesoscopic level and the compactness of asphaltene aggregates at microcosmic level. By analyzing the mesoscopic structural properties of crude oil during transport and the microscopic interaction between crude oil and Fe2O3, the competitive adsorption of crude oil components on pipeline surface is demonstrated. We reveal that although the fluid movement of crude oil is favorable for structural transformation of asphaltene aggregate from large size to small size in bulk phase, but the asphaltenes are steadily deposited onto pipeline surface with the exfoliation of other oil components. These findings provide a molecular-level understanding of the colloidal structure of asphaltene during transport of crude oil through pipeline.

New Insights into Asphaltene Structure and Aggregation by High-Resolution Microscopy

New Insights into Asphaltene Structure and Aggregation by High-Resolution Microscopy

Mesoscale Aggregation of Sulfur-Rich Asphaltenes: In Situ Microscopy and Coarse-Grained Molecular Simulation.

Asphaltene aggregation is critical to many natural and industrial processes, from groundwater contamination and remediation to petroleum utilization. Despite extensive research in the past few decades, the fundamental process of sulfur-rich asphaltene aggregation still remains not fully understood. In this work, we have investigated the particle-by-particle growth of aggregates formed with sulfur-rich asphaltene by a combined approach of in situ microscopy and molecular simulation. The experimental results show that aggregates assembled from sulfur-rich asphaltene have morphologies with time-dependent structural self-similarity, and their growth rates are aligned with a crossover behavior between classic reaction-limited aggregation and diffusion-limited aggregation. Although the particle size distribution predicted using the Smoluchowski equation deviates from the observations at the initial stage, it provides a reasonable prediction of aggregate size distribution at the later stage, even if the observed cluster coalescence has an important effect on the corresponding cluster size distribution. The simulation results show that aliphatic sulfur exerts nonmonotonic effects on asphaltene nanoaggregate formation depending on the asphaltene molecular structure. Specifically, aliphatic sulfur has a profound effect on the structure of rod-like nanoaggregates, especially when asphaltene molecules have small aromatic cores. Interactions between aliphatic sulfur and the side chain of neighboring molecules account for the repulsive forces that largely explain the polydispersity in the nanoaggregates and corresponding colloidal aggregates. These results can improve our current understanding of the complex process of sulfur-rich asphaltene aggregation and sheds light on designing efficient crude oil utilization and remediation technologies.

Application of a novel amphiphilic polymer for enhanced offshore heavy oil recovery: Mechanistic study and core displacement test

A molecular modified polyacrylamide with Gemini surfactant monomers, named as HA1, was evaluated in this paper as an alternative to enhance the offshore heavy oil recovery. The physical properties of HA1 solution including apparent viscosity, rheological properties, static adsorption, interfacial activities (IFT, interfacial visco-elasticity and contact angle), emulsification ability, as well as oil recovery capacity were comprehensively investigated. Our results indicate that due to the hydrophobic and Gemini surfactant monomers on the acrylamide backbone, this novel amphiphilic polymer possesses more advanced functions than conventional polymers. HA1 demonstrates pronounced aqueous-phase viscosifying ability by forming 3D network in solution when the concentration is above CAC. In addition, the IFT, interfacial visco-elasticity and contact angle response illustrate that HA1 interacts strongly with the oil-phase which gives rise to its significant interfacial activity. Thereby, HA1 is able to reduce the heavy oil viscosity by emulsifying oil into water phase even at relatively low water content (20%) and also avoids dehydration difficulty by reducing the oil-brine interfacial rigidity. Furthermore, the asphaltene morphology change due to HA1 observed by SEM and AFM proves that HA1 can disperse the asphaltene aggregates in the crude oil, leading to a direct reduction of the heavy oil viscosity. At last, the coreflooding in an artificially synthesized triple-layered porous media shows that HA1 gives rise to an additional oil recovery of 27.04%, at the optimum concentration of 1600 ppm, by improving sweep efficiency, microscopic efficiency and dispersion of the asphaltene aggregates. Therefore, the potential of HA1 to enhance heavy oil recovery is comparable to traditional multi-component polymer-surfactant flooding. Since HA1 is single-component, it can also mitigate incompatibility issues like chromatography separation and surfactant-polymer interactions. Overall, this new self-assembly system shows potential for applications in heavy oil recovery.

On the synergistic effect of asphaltene and surfactant to reduce n-dodecane–water interfacial tension: insights from molecular dynamics simulations

ABSTRACT The adsorption behaviours of three typical surfactants at n-dodecane–water and n-dodecane + asphaltene–water interfaces were systematically studied by atomic molecular dynamics (MD) simulation. The theoretical simulation results show that surfactants and asphaltene molecules have different synergistic effects in reducing interfacial tension. For surfactants SDBS and OP-10, the increase of interfacial concentration leads to the dissociation of asphaltene molecular aggregation structure and the further reduction of interfacial tension. However, DTAB showed the opposite effect. The increase of surfactant interfacial concentration leads to the increase of asphaltene aggregation. With the increase of surfactant interfacial concentration, the interaction between surfactant and asphaltene is not conducive to further reduce the interfacial tension.

Molecular dynamics simulations of asphaltene aggregation in heavy oil system for the application to solvent deasphalting

This study evaluated the application of molecular dynamics (MD) simulations to solvent deasphalting (SDA) by comparing the extent of asphaltene aggregation with the experimental results under near-critical operating conditions. In the MD simulations, a large-scale system containing 288 oil molecules (12 oil molecular models) was established to mimic a real heavy oil system, with n-pentane adopted as the extraction solvent. The same operating conditions were employed for both MD simulations using an all-atomic force field and SDA extraction experiments. Several properties, including density, asphaltene aggregation extent, molecule type in aggregates, quality of separated oil phases, radial distribution function, and dimer interaction energy, were analyzed using the MD trajectories. The extent of asphaltene aggregation and the quality of the two oil phases (solvent-rich and asphaltene-rich) simulated using MD under several operating conditions were qualitatively consistent with the experimental SDA results. The calculation of radial distribution functions and dimer interaction energies of asphaltenes revealed that the size and shape of the cyclic ring sheet and steric hindrance determined the aggregation tendency. Interestingly, each type of asphaltene favorably aggregated with the same type over the other types, in accordance with the rationale of “like attracts like”. These findings are promising for the practical applications of MD simulations for developing SDA processes.

Experimental study on pore-scale mechanisms of ultrasonic-assisted heavy oil recovery with solvent effects

Production from heavy asphaltenic oil reservoirs poses several challenges that require new and innovative techniques for improved production and recovery. The main objective of this study is to experimentally investigate the influences of ultrasonic waves and solvent on oil viscosity, asphaltene precipitation behavior, and recovery of a heavy asphaltenic crude oil. This study is divided into two main parts. In the first part, crude oil samples were subjected to ultrasonic radiation with a frequency of 20 kHz and varying output powers (30, 60, and 100 W) for various durations. The viscosity of each oil sample was measured immediately after stopping ultrasonic radiation and also after 24 h of irradiation. An optimum time for ultrasound radiation was determined when the cooled-down radiated oil reached a minimum viscosity. We then measured the viscosity of the ultrasonically treated oil samples blended with a solvent (i.e., n-heptane) to assess the synergetic effect of ultrasonic radiation and solvation on the oil viscosity. In the second part, the application of ultrasonic radiation on the asphaltene aggregates and oil recovery was examined using solvent flooding in a transparent porous medium. Four sets of experiments were undertaken where the solvent was injected into the micromodel saturated with the untreated and ultrasonically treated oil free from or blended with the solvent. The results showed that ultrasonic treatment decreased the size of asphaltene aggregates and consequently reduced the viscosity of the crude oil. As a result, the suspension of asphaltene in the ultrasonically treated oil increased and reduced its tendency to precipitate at the optimum radiation time. Furthermore, the results indicated that the combined use of ultrasound and solvent had the greatest reduction in the oil viscosity compared to the untreated crude oil with ultrasonic waves or solvent.

Determent of oil-soluble surfactants on aggregation of model asphaltene compound and synergistic effect of their mixtures on foaming property

Oil-based foam stabilized by dispersed asphaltene is potential in the oil recovery process of water-sensitive formations. But asphaltenes are prone to aggregate, which jeopardizes the stability of the foam. This paper investigated the effect of different VO79 (model asphaltene compound violanthrone-79) systems on the performance of oil-based foams through surface tension and foaming tests. And simulations were performed to investigate the microscopic mechanism of ODA (octadecyl amine) and Span20 (sorbitan monolaurate) on the dispersion effect of VO79 and the effect of their mixtures on the interfacial film formation. The experimental results showed that the mixed system of ODA, Span20, and VO79 significantly enhances the performance of the oil-based foam. According to simulative results, ODA and Span20 blending are able to form ODA: Span20 molecular pairs, inhibiting the aggregation of model asphaltenes. The blend of ODA, Span20, and VO79 tends to form a ternary supramolecular complex, assembling into a dense and stretchable interfacial film. The synergistic effect generated by the ternary blends is capable of optimizing the performance of oil-based foams.

Experimental and molecular dynamics simulation investigations of adhesion in heavy oil/water/pipeline wall systems during cold transportation

With the increased water content in heavy oil gathering pipelines and application of cold transportation methods, understanding adhesion behavior in heavy oil/water/pipeline wall systems has greatly gained in importance. Here, a combined experimental and molecular dynamics (MD) simulation was used to investigate the effect of the heavy oil composition and molecular structures on adhesion. The capacity of heavy oil adhesion and the effect of adding asphaltene molecules to the heavy oil were studied experimentally. MD simulation systems with different asphaltene concentrations were established based on the NPT and NVT ensembles. The results showed that the addition of asphaltene increases the adhesion of heavy oil by as much as 16.60–83.35%. The center of mass, mean square displacement, and radial distribution function of heavy oil droplets were also analyzed, which indicated that the viscosity and thickness of the heavy oil adhesion layer were also affected by the asphaltene content. The functional groups in asphaltene molecules promote the adhesion of oil droplets and inhibit the adhesion of the water phase. Further, asphaltene aggregates are formed by face-to-face stacking, which severely impedes heavy oil flow assurance. The results from this study greatly contribute to understanding the mechanisms of heavy oil adhesion during cold transportation.

Research on the phase structure of Styrene-Butadiene-Styrene modified asphalt based on molecular dynamics

To study the phase structure of the SBS modified asphalt by considering the polymer characteristic of liner SBS molecular with different block ratios and concentrations on the molecular scale. A total of 18 molecular dynamics(MD) models were constructed by Gromacs. The phase phenomenon was analyzed by number density and density distribution map. The adsorption behavior of SARA components and SBS were analyzed by considering the SARA molecules' contact characteristics and the adsorption number of SARA molecules on the SBS surface. The result shows that SBS molecular will form the dispersed phase in low concentration (0–4%). With the concentration increasing, the phase will transfer from the dispersed phase to the continuous phase. After the critical concentration, the state of SBS molecule changes from the stable state to the dispersed phase. the SBS with S: B block ratio closer to the middle point is easier to form a continuous phase in different concentrations. The asphaltenes aggregation would also be attracted by SBS, and interact with SBS by branch chains. The saturates molecular is wrapped around the SBS molecules. Resins and aromatics molecules with higher degrees of freedom in space and easy to adjust their spatial structure are also more likely to adsorb around SBS molecules. The highest adsorbed molecules number and molecular weight of different SBS molecules are the Resins, followed by the aromatics. The amount of the adsorbed asphaltenes is nearly the same as that of the saturates. Due to the highest weight of asphaltene molecules in the SARA component, the asphaltene molecular weight absorbed by SBS is close to that of aromatics. The phase structure change may cause a dramatic change in the number of adsorbed molecules.

Syncretization mechanism between emulsified asphalt and aged asphalt in cold recycled asphalt mixture using developed demulsification-dehydration method

To reveal the syncretization mechanism between waterborne epoxy resin/styrene butadiene rubber latex modified emulsified asphalt (WSEA) and aged asphalt, a new demulsification-dehydration method was developed to prepare syncretic asphalt samples, and their changes in microstructures and compositions were characterized. Results indicate that bee-like structure formation process in asphalt includes polymer wax adsorption, asphaltene aggregation and bee-like structure incorporation. Intercalated structures in WSEA become more obvious owing to interpenetration network. Increasing curing temperature or prolonging curing time facilitates oxygen uptake reaction of asphalt, and promotes bee-like structure incorporation. The syncretization between WSEA and aged asphalt mainly occurs among four asphalt components.

Multi-alkylated aromatic amides amphiphiles effectively stabilize the associated asphaltene particles in crude oil

As an economic and efficient method, asphaltene dispersants are widely used to inhibit the precipitation of asphaltenes in the crude oil tank. In this study, a series of multi-alkylated aromatic amides (MAA) amphiphiles containing benzene rings and a different number of alkyl side chains were synthesized and evaluated as asphaltene dispersants for the Saudi crude oil. After adding 500 ppm MAA-3, the initial flocculation point of the oil sample is significantly increased from 42.48% to 70.94%, the size of asphaltene aggregates is reduced from 3.99 ± 0.2 μm to 1.45 ± 0.2 μm, and the viscosity of the oil sample has increased by 21.77%. The influence of the number of alkyl side chains on the performance of asphaltene dispersants was also studied. The result shows that increasing the number of the alkyl side chain is beneficial to improve the performance of dispersant, and the MAA has the best performance of dispersing asphaltenes at the number of alkyl side chains of 3 (MAA-3). The molecular simulation (MS) further verified the experimental results from the perspective of interaction energy.

Microscopic analysis of the evolution of asphalt colloidal properties and rejuvenation behavior in aged asphalt

The performance restoration of aged asphalt is a challenge in the current technology available for pavement rejuvenation. Investigating the evolution of aged asphalt colloids from a microscopic perspective is the key to solving this problem. In this study, asphalt colloids and aggregates were modeled according to molecular simulation. The thermodynamic properties of colloids were investigated by viscosity and cohesive energy density (CED). The microstructural evolution and energy in colloids were examined using radial distribution function (RDF), binding energy, electrostatic potential (ESP), and interaction potential curve after annealing simulations. Rejuvenators were introduced into the aged asphalt colloid and aggregate models to investigate asphalt rejuvenation behavior. The thermodynamic and colloidal microstructural changes caused by these configurations were further verified. The results showed a significant increase in viscosity and CED of aged asphalt colloids. The results of RDF and quantum mechanical calculations indicate that oxidative aging enhances the strength and density of asphaltene aggregates and also contributes to forming stable rejuvenated configurations. Under the influence of rejuvenators, asphaltene aggregates can form four rejuvenated configurations: “block,” “sandwich,” “T-shape,” and “occupy.” The sandwich and occupy configurations are characterized by the stacking effect of aromatic rejuvenators. The block configuration is caused by the steric hindrance effect of long-chain rejuvenators. The T-shape configuration is common in both effects. The polarity of rejuvenators improves electrostatic interactions and contributes to rejuvenation configurations, but also leads to extra hydrogen bonds and enhanced aggregation. The rejuvenation of aggregates can be considered the formation of new stable configurations under thermal motion. Recovery results of aged asphalt indicate that effective rejuvenation can be achieved using low-polarity aromatic rejuvenators and high-polarity long-chain rejuvenators.