In this contribution, we use high-resolution mass spectrometry to unveil the molecular composition of occluded compounds inside Colombian asphaltenes macrostructures. We Soxhlet extraction, with n-heptane, coupled asphaltene maceration obtain four fractions enriched chemical networks. focused our efforts on fraction interacting via strong intermolecular forces, and used normal phase column chromatography fractionate it atmospheric pressure photoionization Fourier transform ion cyclotron...

With heavy crude oil refining on the rise, upgrading strategies are fundamental to yield high-value products. Hydroconversion and thermal cracking well-established widely used processes for oils' distillation cuts residues. Recognizing molecular changes in these fractions after upgrading, particularly of asphaltenic compounds, is understand optimize processes. In this work, we follow compositional asphaltene fraction a Colombian crude, hydroconversion cracking, using high-resolution mass...

This study focuses on evaluating the differences between describing asphaltene fraction using a unique average molecular structure compared to multistructural approach by examining its effects aggregation behavior dynamics (MD). Three representations were considered: hydrocarbon skeleton (without heteroatoms), single (with and (several structures with different characteristics heteroatom contents). Representative aromatic resin molecules also employed describe maltene content. In total, four...

Asphaltene adsorption properties on mineral surfaces are fundamental to understanding wettability changes in rocks and fluid behavior reservoirs. In this contribution we report an analytical approach investigate the molecular features responsible for asphaltene–silica interactions. We used high performance thin layer chromatography silica plates elutropic series of solvents fractionate asphaltenes according their particular affinity with mobile stationary phases. observed three...

Heavy crude oil processing leads the way in current refining. These crudes yield larger amounts of distillable heavy fractions such as vacuum gas (VGO). VGO must be treated at least two refining units: a hydrotreating unit where sulfur, nitrogen, and other heteroatoms are removed, hydrocracking suitable fuels obtained. Removal during hydrotreating, particularly, dictates efficiency hydrocracking. In first part this work, nature refractory nitrogen-containing compounds on performance catalyst...

In the present work distribution of oxygen compounds in total organic acid content ten crude oils was assessed by means negative ion electrospray ionization Fourier transform cyclotron resonance mass spectrometry ((−) ESI FT-ICR-MS). As a first attempt, relative abundance O2 class related to number (TAN) for samples following state art, and no positive correlation achieved. Therefore, we performed selective isolation acidic via solid phase extraction using amino-propyl silica (APS), finding...

In this research, an original way to obtain models able predict the asphaltene content in vacuum residua by mid-infrared attenuated total reflectance (MIR-ATR) spectroscopy reduction of X variables was developed. Partial least-squares regression (PLS-R) used reach goal. A 69 samples for calibration and 18 external prediction were used. It demonstrated that dimensional dependent greatly improves power models. This methodology evaluated three processes modeling, predictive are reported. The...

Crude oils differ from one another in numerous chemical and physical properties, many of which play an important role defining their quality price. Generally, statistical analysis price differentials has focused on two main properties: density sulfur content. However, the growing significance high total acid number (TAN) crude oils, especially developing countries, aroused necessity for extending these models. Consequently, refineries must obtain real exact information regarding oil to...

Petroleum sulfonates obtained from heavy vacuum gas oil (HVGO) were characterized by negative electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry [(−) ESI FT-ICR MS] to better understand the chemical nature of their surface-active components. Electrospray (ESI) analysis showed that contain mainly O3S, O3S2, O4S, and NO3S classes, which means sulfonation reaction does not occur selectively for aromatic hydrocarbon (HC) class compounds because it also reacts...

This work shows the compositional effect on low-temperature oxidation of crude oils subjected to in situ combustion (ISC). Three heavy crudes were used this study which detailed information molecular species involved ISC was obtained by ultra-high-resolution mass spectrometry. The carried out a mixture 2% oil Ottawa sand an isothermal cell using batch system at 1500 psi three conditions: (i) reservoir temperature each oil, (ii) 180 °C, and (iii) °C heterogeneous catalyst-type β-MnO2....

In the present work, petroleum sulfonates were obtained from three atmospheric residues (ARs) and characterized by negative-ion electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry [(−) ESI FT-ICR MS], looking for an approach to establish a relationship between molecular composition interfacial activity chemical enhanced oil recovery (CEOR) formulations. From correlation of (−) MS data tension measurements, it was possible infer that some characteristics, such...

A better understanding of the nature crude oil compounds that preferentially interact with certain types solids is essential to visualize solutions challenges in fields, such as enhancing recovery factor, via wettability alteration, and remediating emulsions stabilized by fines, among others. The simplistic assumption organic matter linked hydrophilic corresponds polar fractions (i.e., asphaltenes) needs more compositional detail. In an attempt elucidate this important issue, present work,...

In situ combustion (ISC) is one of the highest potential enhanced oil recovery (EOR) processes for heavy oils. However, several operational issues, including formation highly stable emulsions, have limited its application. Disclosing physicochemical proprieties these especially chemical nature compounds involved in stabilization process, has become relevant success ISC projects. present work, changes at a laboratory-scale low-temperature oxidation (LTO) regimen performed over Colombian crude...

Asphaltene precipitation can promote a drastic reduction in oil production because of asphaltene and deposition damage. Therefore, screening models to predict the risk damage equations state (EoS) onset pressure (AOP) are useful prevent drops optimize management resources. Most have been focused on compositions (SARA analysis); however, these do not consider key variables for stability such as temperature, pressure, well depth, gas–oil ratio, so on. As EoS typically based experimental data,...

A fast, reliable, and inexpensive way to monitor the quality of hydroprocessed products from a heavy bitumen distillate is presented in this work. Predictive models for density, nitrogen sulfur contents, weight percentage lumped products, case, distillation cuts IBP–235, 235–280, 280–343, 343+ °C, were obtained through Fourier transform infrared spectroscopy (FTIR) partial least squares regression (PLS-R). In addition, two structural parameters also derived FTIR are proposed chemical...

Biomarkers are fossil organic molecules that contain information about either the precursor organisms or environmental conditions generated petroleum. They become useful tools to establish stratigraphic correlations, assess depositional environment, and even check history of matter. Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) is considered nearly indispensable when nitrogen-, oxygen-, sulfur-containing (NSO) biomarker compounds need be explored. In this...

Despite significant advances in the characterization of asphaltenes, study this fraction crude oil remains challenging for scientific community and companies. It is well-known that asphaltenes are responsible many difficulties found extraction, production, transportation, storage, refining petroleum. Although they defined as insoluble paraffinic solvents low-molecular-weight-type n-heptane (C7) or n-pentane (C5), present a great compositional variety, concentrate variety elements (among...