Traditional corrosion inhibitors make great contribution to metal protection, but also cause environmental pollution. To solve the problem, plant extracts as green corrosion inhibitors have attracted much attention in recent years. Plants are good…
In order to study the dissolution process of methane (CH4) in the crude oil system, the dissolution behavior of CH4 in crude oil systems at different temperatures and pressures was systematically studied by means of CH4 solubility test and molecular…
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…
In order to explore the micro-dynamic principle of radial deposition and adhesion behavior and analyze the effect-principle of the features in construction of rough tube surfaces on each link, a molecular dynamic model was established to characterize…
Asphaltene deposition is a ubiquitous problem in crude oil exploitation, which can cause the blockage of pore throat, leading to a significant reduction of oil recovery. Understanding the microscopic mechanism of asphaltene deposition and its…
In the work, molecular dynamics simulation is employed to analyze the micro mechanism of the yield thixotropy of crude oil. The effects of different shear rates on the yield thixotropic characteristics of the crude oil systems are investigated based…
Pour point depressant is one of the effective approaches to improve the low temperature fluidity of high-wax crude oil. Understanding the gelation of waxy oil on the pipe wall and the mechanism of pour point depressant is of great significance for…
After surface adhesion apparatus (SAA) experiments, the mass of oil sticking to wall was found to increase slightly in high-temperature region (70-60 °C), while this mass was increased immediately in low-temperature region (35-25 °C). The contact…
Natural gas hydrate (NGH), as a clean energy with great development potential, has been limited by the lack of efficient and safe exploitation methods for a long time. The CO2 displacement method proposed in recent years has not made substantial…
Blending hydrogen into high-strength pipeline steels for high-pressure transmission may cause materials' hydrogen embrittlement (HE) failure. Although the hydrogen-induced failure of metallic materials has been studied for a long time, the process of…
In order to ensure the safe and economic operation of waxy crude oil transportation process, the micro-dynamic mechanism and thermodynamic characteristics of wax precipitation process at nanoscale are necessary to be revealed. Here, we established…
For ensuring the safe and stable operation of waxy crude oil pipeline transportation, in this research, the molecular dynamics model was established to characterize the deposition and wall sticking behavior of waxy crude oil multiphase system…
The microscopic understanding of adsorption and storage of CO2 in minerals is of great significance for large-scale geological storage of CO2. The behaviors of the H2O CO2 system absorbed on the kaolinite surfaces with oscillating and static…
This study investigates the ability of hydrogen (H2) to wet clay surfaces in the presence of brine, with implications for underground hydrogen storage in clay-containing reservoirs. Rather than measuring contact angles directly with hydrogen gas, a…
Successful design and execution of CO2 sequestration in saline aquifers requires a comprehensive understanding of CO2 transport properties. CO2 diffusion coefficient affects CO2 dissolution behavior in water/brine and controls phenomena such as shape…
The technology of methane storage by the adsorption-hydration hybrid (AHH) combines the adsorbed natural gas (ANG) and natural gas hydrate (NGH) methods to store gas in porous materials. This technology can overcome the shortcomings of ANG and NGH…
Understanding the structure-property relationships of the binder-aggregate interface at the molecular level provides insights into the nature of their adhesion and could pave the way for better asphalt mixtures. In this study, molecular dynamic…
Performance of the nanoparticle-modified asphalt binder is greatly influenced by adhesion properties between asphalt binder and nanoparticle. In this work, the adhesion properties of crude oil fractions (e.g., Saturate, Asphaltene, Resin and Aromatic…
In order to improve the properties of petroleum coke water slurry (PWS), a quaternary ammonium Gemini cationic surfactant, 14-3(OH)-14(2Cl) (G14), was chosen to modify the surface chemistry of Lanqiao petroleum coke (LQ). Compared with the single…
This study focuses on evaluating the differences between describing the asphaltene fraction using a unique average molecular structure compared to a multistructural approach by examining its effects on aggregation behavior using molecular dynamics…
Adsorption-hydration hybrid method has been widely concerned due to its great application potential in CH4 storage/transportation. Monte Carlo and molecular dynamics simulations were performed to investigate the hybrid CH4 physisorption-hydrate…
Abstract.: Noble gases, and the way they fractionate, is a promising approach to better constrain origin, migration and initial state distributions of fluids in gas and oil reservoirs. Thermodiffusion, is one of the phenomena that may lead to isotope…
Wax deposition can cause a slowdown in operation by restricting crude oil flow in the pipeline. Chemical inhibitors interact with the wax molecule in crude oil and prevent wax aggregation. The molecular dynamics (MD) simulation was used to analyze…
In order to study the dissolution process of methane (CH4) in the crude oil system, the dissolution behavior of CH4 in crude oil systems at different temperatures and pressures was systematically studied by means of CH4 solubility test and molecular…
In order to explore the micro-dynamic principle of radial deposition and adhesion behavior and analyze the effect-principle of the features in construction of rough tube surfaces on each link, a molecular dynamic model was established to characterize…
Coalbed gas outburst processes commonly occur in ductile shear zones and release gas quantities that far exceed the maximum gas adsorption capacity of coal seams. Although outburst accidents pose a serious safety hazard, this process has long…
Gas hydrates have drawn considerable attention in the globe because of their importance in environment and energy field. Although the hydrates in nature and synthesized in the laboratory are polycrystalline materials, the structures of their grain…
In situ fractionation in shales means differential movement of the light versus heavy components of the crude oil in the shale formation. This can be due to multiple phenomenon like molecular sieving, varying diffusion coefficients for different…
Carbazole (CA) and alkylated carbazoles are common nitrogen-containing heterocyclic aromatic compounds widely found in crude oils and sedimentary rocks extracts. Their geochemical significances in petroleum exploration have been widely investigated…
Dibenzofurans, oxygen-containing heterocyclic aromatics, are ubiquitous in crude oils. Their geochemical implications in petroleum geochemistry have been studied in numerous previous publications. Here, we present the distribution of dibenzofuran and…
The composition of petroleum hydrocarbons in oily sludge is complex, and it is difficult to reveal the interaction between components in the pyrolysis process only by the macroscopic analysis results of products. Five compounds, namely n-dodecane,…
In this study, by using molecular dynamics simulations the effects of applying an external magnetic field on the interfacial tension of water-toluene system are investigated in the presence of asphaltenes molecules. In this paper, we present a…
The use of high-sulfur petroleum coke (petcoke) as raw material in the carbon industry requires an effective desulfurization process. Hydrodesulfurization (HDS) and NH3 gaseous desulfurization are the most effective approaches. However, the S/N…
Clathrate hydrates have a variety of applications ranging from natural gas storage, carbon dioxide sequestration, sea water desalination, gas separation etc. But the applications have still not reached the industrial stage and commercialization,…
The storage of CO2 in the form of gas hydrate is becoming common place in the field of carbon capture and storage. Natural gas hydrate deposits are typically rich in clay minerals, yet their potential effect on CO2 hydrate nucleation and dissociation…
In the work, molecular dynamics simulation is employed to analyze the micro mechanism of the yield thixotropy of crude oil. The effects of different shear rates on the yield thixotropic characteristics of the crude oil systems are investigated based…
An accurate description of the interfacial behavior in hydrogen-methane system is important for the hydrogen industry to design the transport and storage stages of hydrogen blends in the natural gas network. This research aims at providing accurate…
Inhibiting natural gas hydrate (NGH) decomposition is a crucial challenge in NGH strata cementation. Lecithin can inhibit the decomposition of NGH, however, before lecithin is added to oil well cement to create a cement slurry system that inhibits…
In order to improve the properties of petroleum coke water slurry (PWS), a quaternary ammonium Gemini cationic surfactant, 14-3(OH)-14(2Cl) (G14), was chosen to modify the surface chemistry of Lanqiao petroleum coke (LQ). Compared with the single…
The storage of CO2 in the form of gas hydrate is becoming common place in the field of carbon capture and storage. Natural gas hydrate deposits are typically rich in clay minerals, yet their potential effect on CO2 hydrate nucleation and dissociation…
Graphene aerogels, the lightest material in the world, have made their mark in the research community due to their exceptional physical properties. In the present work, the shockwave response of graphene aerogels of a wide range of densities from 149…
Blending hydrogen into high-strength pipeline steels for high-pressure transmission may cause materials' hydrogen embrittlement (HE) failure. Although the hydrogen-induced failure of metallic materials has been studied for a long time, the process of…
In order to improve the properties of petroleum coke water slurry (PWS), a quaternary ammonium Gemini cationic surfactant, 14-3(OH)-14(2Cl) (G14), was chosen to modify the surface chemistry of Lanqiao petroleum coke (LQ). Compared with the single…
Oil-brine-clay minerals interactions play an important role in in-situ reservoir wettability, which govern the fluid flow during enhanced oil recovery, CO2 geosequestion and water remediation at subsurface. Kaolinite clay minerals are widely existed…
The practical use of paraffin and other organic phase-change materials for heat storage is largely limited by their low thermal conductivity. In this paper we employed 60 microsecond-long atomic-scale computer simulations to explore for the first…
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…
Aging is responsible for the irreversible asphalt-binder stiffening and brittleness. However, various rejuvenators can recycle the aged asphalt-binder. In this study, molecular models of rejuvenators for aged asphalt-binders were constructed using…
Dyes are major water pollutants due to their large-scale industrial applications. Dyes adversely impact both aquatic and human health. Thus, they require efficient removal from water bodies. Adsorption is an effective method for removing dyes from…
A major challenge in enhanced oil recovery is the salt-resistance of surfactants. Theoretical research into the salt-resistance of anionic surfactants is mainly limited to experimental results. In this paper, four virtual descriptors of two anionic…
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…