Browse Items (17 total)

  • Tags: Molecular dynamics simulation

Traditional corrosion inhibitors are not popular due to high toxicity. Instead, green corrosion inhibitors are appearing. Here, strictosamide as a green corrosion inhibitor was firstly separated from Uncaria laevigata, showing excellent solubility in…

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…

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…

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…

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…

This work applied molecular dynamics (MD) simulation to calculate densities of natural gas mixtures at extremely high pressure (>138 MPa) and high temperature (>200 °C) conditions (xHPHT) to bridge the knowledge and technical gaps between experiments…

Molecular dynamics simulations were employed to reveal the phase change mechanisms of paraffin wax in a multiphase system of crude oil comprised of oil, paraffin wax, bitumen, and water. Simulation results revealed that in the absence of a pour point…

Natural gas hydrate is a kind of new and clean energy source which has attracted much attention for safe and efficient energy recovery from hydrate reservoirs. Injecting CO2 into the gas hydrate deposits can not only realize CH4 production, but also…

The oil migration in nanoslits is essential to enhance oil recovery. In this study, the calcite was selected as typical representative of deep and medium-shallow reservoir, the effect of gas on oil migration behavior in calcite nanoslits is…

This study aims to achieve dust control from the source, reduce the dust concentration of coal mining faces, and provide a safe and pollution-free working environment for underground operators. In this study, dodecyl polyglucoside was used as the…

The affinity of CO2 to kerogen represents an opportunity to increase shale oil/gas recovery using CO2, and as well represents great potential for CO2 sequestration in shale formations. In this study, the CO2-kerogen interaction dominated…

Due to large amounts of oil remain in the Bakken Formation, an effective enhanced oil recovery (EOR) method is crucially important. Cyclic gas injection, like CO2, methane, and ethane, can mobilize the residual oil and enhance oil recovery. In this…

Although peptides were widely used in many fields, their interface behaviors as surfactants have not been explored. The results of the surface tension experiments by an automatic surface tension meter indicate that the stability and emulsifying…

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…

Gas flooding has become one important development method for deep reservoir. In this work, employing molecular dynamic simulation method, the displacement behavior of nanoslit oil by injected gases (CO2, CH4, N2, C3H8) was investigated. Simulation…

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…
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