Browse Items (78 total)

  • Tags: Molecules

The complex phase behaviors and structural coexistence of natural gas hydrates (NGHs) that contain large-molecule guest substances (LMGSs) were examined for their significance in the exploration and exploitation of NGHs as well as natural gas storage…

Dispersion of asphaltene in crude oil using ionic liquids (ILs) is being considered as a viable solution, in extraction and transportation processes. In this work, the interplay between asphaltene and ILs has been studied systematically to understand…

Crystallization of wax molecules in waxy crude oils can seriously deteriorate the rheology of crude oils, impact pipeline transportation safety and increase economic cost. Addition of a small amount of polymer pour point depressants(PPDs) can improve…

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…

• CBCMs significantly improved the hydrate formation kinetics and storage capacity. • Carbonyl groups was identified as the active sites enhancing CH 4 hydrate formation. • Functional groups tuned hydrogen-bonding network results in the enhanced…

The gelation of emulsions is a notorious problem during the transportation of crude oil. In this study, the impact of dispersed water on the paraffin crystallization behavior in waxy crude oil was investigated using the mesoscopic dissipative…

Asphaltenes and paraffin are considered the molecules present in heavy crude oils that tend to form aggregates that cause high viscosity values. Understanding the molecular interactions occurring in such aggregation phenomena is essential to apply…

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…

In this paper, wax deposition in waxy crude oil transportation process was regarded as an irreversible process. Based on the entropy production rate equations, the linear phenomenological equations for the diffusion of wax molecules were derived by…

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…

Because the influence of shear on the rheology of waxy crude oil must be considered according to the composition and structure of the waxy crude oil transported via pipeline when a new pipeline is constructed, the risks associated with changes in the…

The so-called blue hydrogen production process, integrates conventional fossil fuel-based production methods with carbon capture and storage technologies. This combination reduces total CO2 emissions, compared to conventional grey fossil-fuel-based…

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…

The pentane solvent deasphalting (SDA) process was carried out with petroleum vacuum residue (VR) blend with a bio-oil (BO) and solely with the bio-oil as a raw material. Two fractions each were produced: deasphalted oil (DAO) and asphaltic residue…

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…

High-resolution mass spectrometry enables molecular characterization of heavy petroleum fractions for petroleomics research. However, results from mass spectrometry are usually not quantitative. This paper provides strategies and solutions for…

Context. Carbon fractionation has been studied from a theoretical point of view with different models of time-dependent chemistry, including both isotope-selective photodissociation and lowerature isotopic exchange reactions. Aims. Recent chemical…

Molecular composition of Bohai heavy oil components was investigated by element analysis and high-resolution mass spectrometry. Moreover, partition coefficient and interfacial tension (IFT) in petroleum sulfonate (PS) solution/model oil system were…

Petroleum, contains proportions of contaminants such as sulfur, nitrogen, oxygen, and metals, such as nickel, iron, copper, sodium, and vanadium. Particularly, contaminants containing sulfur cause problems during handling, transportation, and the use…

Gas shales contain a variety of clay-rich materials with multifarious pore networks. Clay-hosted porosity is an essential component and considered to play a crucial role in establishing the original hydrocarbon molecules in place and transport…

The ability of both bare and surface-modified hematite nanoparticles to reduce the viscosity and upgrade the quality of heavy crude oil via aquathermolysis reaction was investigated in this study. The surface of hematite nanoparticles was modified…

The effect of hydroxy (HHO) gas or Brown gas addition as a secondary fuel on the performance, exhaust emissions, and lean operation limit of a spark-ignition (SI) engine was experimentally investigated in this study. The tests were performed on a…

The effects of inorganic alkalis on the dynamic interfacial tensions (IFTs) of three betaine surfactants with different structures against daqing crude oil and model oils containing crude oil fractions, such as saturate, aromatic, resin, asphaltene…

The effects of alkalis on the dynamic interfacial tensions (IFTs) of two betaine solutions with different hydrophilic parts, erucyl dimethyl amidopropyl carboxybetaine (EDAC) and erucyl dimethyl amidopropyl sulfobetaine (EDAS), against crude oil and…

Abstract: The photochemical stability of resins and asphaltenes during their photolysis under the influence of radiation from a mercury lamp is investigated by IR spectroscopy. It is found that exposure to UV light leads to a change in the band…

A light Arabian crude oil was separated by distillation into 27 fractions, including 25 very narrow distillation cuts, the light ends, and a vacuum residue (VR), which were extensively characterised using standard methods. Overall, the properties…

In this work, crude oil fractions obtained using n-pentane were analyzed using atmospheric pressure photoionization coupled to ultrahigh-resolution magnetic resonance mass spectrometry. The crude oil was supported on Ottawa sand and transferred to a…

Shale samples of lacustrine Shahejie Formation from the Well F39X1 drilled in Qikou sag were used to study microstructures, mineralogy, and organic geochemistry and their impacts on oil storage response. Samples are quartz and clay rich and contain a…

To clarify the mechanism responsible for the reduction of interfacial tension (IFT), the dynamic and equilibrium IFTs of different betaine solutions against n-alkanes, kerosene, heavy oil fractions model oil and crude oil have been investigated by…

To ensure high safety level in crude oil and its distillates storage tanks, petrochemical industry needs responsive and reliable hydrocarbon vapor sensing devices. We propose here a cost-effective petroleum vapor sensor that could be used effectively…

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: The effect from the combined action of a low-frequency acoustic field, a demulsifier (DE), and the temperature factor on the stability of the water-in-oil emulsions formed by crude oils differing in the contents of resins, asphaltenes, and…

This study investigated the effect of average carbon number and molecular/bonding characteristics of wax on wax appearance temperature (WAT) and wax crystal shape under microscope. Three samples of SAR, AS, and FAH from oil fields in southwestern…

Among the methods for confirming the natural origin of flavor compounds, 13C measurements using IRMS technique are becoming increasingly important. EA-IRMS measures can suffer from errors caused by the volatility of the analyzed compounds and the…

Developing nanocarriers deliver molecules to targeted locations has received widespread attention in different fields ranging from biomedical to oil and gas industries. Mesoporous Silica Nanoparticles (MSNs), where the pore size diameter ranges from…

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 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…

Incremental oil recovery due to polymer flooding results from acceleration of oil production along flow paths and improving sweep efficiency. To achieve favorable economics, polymers should have a high viscosifying power and low adsorption. However,…

The performances of multilayer Hex-star phosphorene (HP) for the CO2 removal from natural gas were investigated by molecular simulation combined with real adsorbed solution theory (RAST). The influences of pressure (0.01–3.0 MPa), molar fraction of…

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…

Asphaltenes and paraffin are considered the molecules present in heavy crude oils that tend to form aggregates that cause high viscosity values. Understanding the molecular interactions occurring in such aggregation phenomena is essential to apply…

In this study, frontal chromatography experiments have been conducted with hydrocarbon gases (methane and ethane) on selected stationary phases (quartz, 3 Å, 5 Å and 13X molecular sieves, activated carbon, coal and shale) to study compositional and…

One of the most important characteristics of asphaltene molecules is their interfacial properties. These are amphiphilic molecules with polar and nonpolar portions. Consequently, asphaltenes have an active surface, so they can be adsorbed at the…

Molecular profiling of crude oil is a tremendous challenge due to its inherent complexity. An accurate molecular fingerprint of a crude oil may facilitate rational design of crude oil recovery efforts, such as enhanced oil recovery, improve the…

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…

Synthesis of Compound Esters based on Acid Chloride of Low-Molecular Petroleum Acids of Baku Marine Oil Fields and Chiral Unsaturated Alcohols. The physicochemical properties of the compound naphthenic acid esters are determined, and the…
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