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Quantitative Molecular Representation of Asphaltenes and Molecular Dynamics Simulation of Their Aggregation
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Molecular Thermodynamics of Nonideal Fluids
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Rebuttal to comment by professors Herod, Kandiyoti, and Bartle on “Molecular size and weight of asphaltene and asphaltene solubility fractions from coals, crude oils and bitumen”
inferredcites →https://doi.org/10.1016/j.theochem.2005.02.063openalex-snapshot
Conformational search and dimerization study of average structures of asphaltenes
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Asphaltene Aggregation under Vacuum at Different Temperatures by Molecular Dynamics
inferredcites →https://doi.org/10.1021/ef049809dopenalex-snapshot
Modeling Solvent Effects on Asphaltene Dimers
inferredcites →https://doi.org/10.1021/ef049911aopenalex-snapshot
Morphology of Aggregated Asphaltene Structural Models
inferredcites →https://doi.org/10.1021/ef049936+openalex-snapshot
Quantitative Molecular Representation and Sequential Optimization of Athabasca Asphaltenes
inferredcites →https://doi.org/10.1021/ef060250mopenalex-snapshot
Polycyclic Aromatic Hydrocarbons of Asphaltenes Analyzed by Molecular Orbital Calculations with Optical Spectroscopy
inferredcites →https://doi.org/10.1021/ef060449zopenalex-snapshot
Molecular Orientation in Model Asphalts Using Molecular Simulation
inferredcites →https://doi.org/10.1021/ef700714zopenalex-snapshot
Contrasting Perspective on Asphaltene Molecular Weight. This Comment vs the Overview of A. A. Herod, K. D. Bartle, and R. Kandiyoti
inferredcites →https://doi.org/10.1021/ef9602178openalex-snapshot
Theoretical Estimation of the Solubility Parameter Distributions of Asphaltenes, Resins, and Oils from Crude Oils and Related Materials
inferredcites →https://doi.org/10.1021/ef990166popenalex-snapshot
Simulation of Interactions in Asphaltene Aggregates
inferredcites →https://doi.org/10.1021/ef990225zopenalex-snapshot
Molecular Size and Structure of Asphaltenes from Various Sources
inferredcites →https://doi.org/10.1021/ja9621760openalex-snapshot
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
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Asphaltene Molecular Size and Structure
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Relaxation time, diffusion, and viscosity analysis of model asphalt systems using molecular simulation
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Particle mesh Ewald: An N ⋅log( N ) method for Ewald sums in large systems
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Coarse-Grained Molecular Simulation and Nonlinear Manifold Learning of Archipelago Asphaltene Aggregation and Folding
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Aggregation Behavior of Model Asphaltenes Revealed from Large-Scale Coarse-Grained Molecular Simulations
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Simple Simulation Model for Exploring the Effects of Solvent and Structure on Asphaltene Aggregation
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Effect of Model Polycyclic Aromatic Compounds on the Coalescence of Water-in-Oil Emulsion Droplets
inferred← citeshttps://doi.org/10.1021/acs.langmuir.1c02466openalex-snapshot
Effect of Oil-Displacing Agent Composition on Oil/Water Interface Stability of the Asphaltene-Rich ASP Flooding-Produced Water
inferred← citeshttps://doi.org/10.1021/acs.langmuir.3c02120openalex-snapshot
Simulation Investigation on the Influence Mechanism of Toluene and Heptane on the Aggregation of Asphaltene Molecules
inferred← citeshttps://doi.org/10.1021/acs.langmuir.5c02957openalex-snapshot
Molecular Dynamics Study of the Coalescence of Water Droplets with Anionic Asphaltene Molecules under a DC Electric Field
inferred← citeshttps://doi.org/10.1021/acs.langmuir.5c04028openalex-snapshot
Molecular Dynamics Insights into Oil Droplet Adsorption and Penetration on the Stratum Corneum
inferred← citeshttps://doi.org/10.1021/acs.langmuir.5c05645openalex-snapshot
Molecular Dynamics Simulation of the Microscopic Interaction Mechanism between Asphaltenes and Wax Molecules/Aggregates Considering the Asphaltene Structure and Wax Carbon Number
inferred← citeshttps://doi.org/10.1021/acs.langmuir.6b03958openalex-snapshot
Mixture Effect on the Dilatation Rheology of Asphaltenes-Laden Interfaces
inferred← citeshttps://doi.org/10.1021/acsomega.2c07120openalex-snapshot
Molecular Dynamics Simulations of Asphaltene Aggregation: Machine-Learning Identification of Representative Molecules, Molecular Polydispersity, and Inhibitor Performance
inferred← citeshttps://doi.org/10.1021/acsomega.5c01625openalex-snapshot
Molecular Dynamics Simulation of the Influence of CO2 and N2 Gas-to-Oil Ratios on the Emulsification Process in Multi-Component Thermal Fluids
inferred← citeshttps://doi.org/10.1021/acsomega.6c08608openalex-snapshot
Macro-Meso-Micro Cross-Scale Correlation of Rheological Evolution in Waxy Crude Oil Emulsions under Dynamic Cooling Conditions
inferred← citeshttps://doi.org/10.1021/ef1003446openalex-snapshot
Aggregate Structure in Heavy Crude Oil: Using a Dissipative Particle Dynamics Based Mesoscale Platform
inferred← citeshttps://doi.org/10.1021/ef1006808openalex-snapshot
Toward Identification of Molecules in Ill-Defined Hydrocarbons Using Infrared, Raman, and Nuclear Magnetic Resonance (NMR) Spectroscopy
inferred← citeshttps://doi.org/10.1021/ef101023ropenalex-snapshot
Tin and Silicon Phthalocyanines Molecularly Engineered as Traceable Stabilizers of Asphaltenes
inferred← citeshttps://doi.org/10.1021/ef1010385openalex-snapshot
Potential of Mean Force Calculation from Molecular Dynamics Simulation of Asphaltene Molecules on a Calcite Surface
inferred← citeshttps://doi.org/10.1021/ef1010397openalex-snapshot
Molecular Dynamics Simulations of Asphaltene Aggregation in Supercritical Carbon Dioxide with and without Limonene
inferred← citeshttps://doi.org/10.1021/ef200108topenalex-snapshot
Molar-Mass Distributions of Asphaltenes in the Presence of Inhibitors: Experimental and Computer Calculations
inferred← citeshttps://doi.org/10.1021/ef200507copenalex-snapshot
High Internal Energies of Proposed Asphaltene Structures
inferred← citeshttps://doi.org/10.1021/ef200887sopenalex-snapshot
Characterization of Physically and Chemically Separated Athabasca Asphaltenes Using Small-Angle X-ray Scattering
inferred← citeshttps://doi.org/10.1021/ef201366yopenalex-snapshot
Probing Molecular Interactions of an Asphaltene Model Compound in Organic Solvents Using a Surface Forces Apparatus (SFA)
inferred← citeshttps://doi.org/10.1021/ef300604qopenalex-snapshot
Systematic Optimization of Asphaltene Molecular Structure and Molecular Weight Using the Quantitative Molecular Representation Approach
inferred← citeshttps://doi.org/10.1021/ef300768uopenalex-snapshot
Molecular Reconstruction of Petroleum Fractions: Application to Vacuum Residues from Different Origins
inferred← citeshttps://doi.org/10.1021/ef301610qopenalex-snapshot
Molecular Dynamics Simulations of Asphaltenes at the Oil–Water Interface: From Nanoaggregation to Thin-Film Formation
inferred← citeshttps://doi.org/10.1021/ef401412wopenalex-snapshot
Validation of the Yen–Mullins Model of Athabasca Oil-Sands Asphaltenes using Solution-State 1H NMR Relaxation and 2D HSQC Spectroscopy
inferred← citeshttps://doi.org/10.1021/ef402208fopenalex-snapshot
Molecular Dynamics Investigation on the Aggregation of Violanthrone78-Based Model Asphaltenes in Toluene
inferred← citeshttps://doi.org/10.1021/ef5019737openalex-snapshot
Molecular Dynamics Simulation of Self-Aggregation of Asphaltenes at an Oil/Water Interface: Formation and Destruction of the Asphaltene Protective Film
inferred← citeshttps://doi.org/10.1021/ef502209jopenalex-snapshot
Aspects of Asphaltene Aggregation Obtained from Coarse-Grained Molecular Modeling
inferred← citeshttps://doi.org/10.1021/ef9010059openalex-snapshot
Multi-scale Simulation and Experimental Studies of Asphaltene Aggregation and Deposition in Capillary Flow
inferred← citeshttps://doi.org/10.1021/ie5035144openalex-snapshot
Liquid–Vapor Phase Behavior of Asphaltene-like Molecules
inferred← citeshttps://doi.org/10.1021/jp3010184openalex-snapshot
Probing Structure–Nanoaggregation Relations of Polyaromatic Surfactants: A Molecular Dynamics Simulation and Dynamic Light Scattering Study
inferred← citeshttps://doi.org/10.1021/jp304444dopenalex-snapshot
Molecular Interactions of a Polyaromatic Surfactant C5Pe in Aqueous Solutions Studied by a Surface Forces Apparatus
inferred← citeshttps://doi.org/10.1021/la200466bopenalex-snapshot
Molecular Orientation of Asphaltenes and PAH Model Compounds in Langmuir−Blodgett Films Using Sum Frequency Generation Spectroscopy
inferred← citeshttps://doi.org/10.1039/b902305bopenalex-snapshot
Multi-scale simulation of asphaltene aggregation and deposition in capillary flow
inferred← citeshttps://doi.org/10.1039/c6cp06380bopenalex-snapshot
A stochastic method for asphaltene structure formulation from experimental data: avoidance of implausible structures
inferred← citeshttps://doi.org/10.1039/c6ra16536bopenalex-snapshot
A molecular dynamics study on two promising green surfactant micelles of choline dodecyl sulfate and laurate
inferred← citeshttps://doi.org/10.1039/c6ra19307bopenalex-snapshot
Adsorption of asphaltenes on the calcite (10.4) surface by first-principles calculations
inferred← citeshttps://doi.org/10.1039/d5cp01815copenalex-snapshot
Thermal runaway mechanism of LiFePO 4 battery electrolytes: a molecular dynamics and density functional theory simulation study
inferred← citeshttps://doi.org/10.1063/1.4848736openalex-snapshot
Viscosity, relaxation time, and dynamics within a model asphalt of larger molecules
inferred← citeshttps://doi.org/10.1063/1.4895972openalex-snapshot
Frequency analysis of stress relaxation dynamics in model asphalts
inferred← citeshttps://doi.org/10.1063/5.0122116openalex-snapshot
Impact of conjugated polymer addition on the properties of paraffin–asphaltene blends for heat storage applications: Insight from computer modeling and experiment
inferred← citeshttps://doi.org/10.1063/5.0190779openalex-snapshot
Effectiveness of inhibitors to prevent asphaltene aggregation: Insights from atomistic and molecular simulations
inferred← citeshttps://doi.org/10.1080/00268976.2011.596489openalex-snapshot
Integration of rotational algorithms into dissipative particle dynamics: modeling polyaromatic hydrocarbons on the meso-scale
inferred← citeshttps://doi.org/10.1080/01932691.2019.1645026openalex-snapshot
Molecular level separation of crude oil/water emulsion on carbon nanotube surface induced by weak interaction: a molecular dynamic simulation study
inferred← citeshttps://doi.org/10.1080/08927022.2018.1469752openalex-snapshot
Aggregation of modified hexabenzocoronenes as models for early stage asphaltene self-assembly
inferred← citeshttps://doi.org/10.1080/08927022.2023.2216799openalex-snapshot
Combination of molecular dynamics simulation and COSMO to understand asphaltenes aggregation
inferred← citeshttps://doi.org/10.1080/10298436.2011.575141openalex-snapshot
Molecular modelling and simulation of asphaltenes and bituminous materials
inferred← citeshttps://doi.org/10.1080/10298436.2017.1321412openalex-snapshot
Diffusion characteristics of asphalt rejuvenators based on molecular dynamics simulation
inferred← citeshttps://doi.org/10.1080/10406638.2022.2077777openalex-snapshot
Combined Experimental and Computational Study of Polycyclic Aromatic Compound Aggregation: The Impact of Solvent Composition
inferred← citeshttps://doi.org/10.1080/10916466.2016.1244545openalex-snapshot
Determining the occurrence time of different stages of asphaltene aggregation using molecular dynamics simulations
inferred← citeshttps://doi.org/10.1080/10916466.2025.2450056openalex-snapshot
Deposition of asphaltene on pipeline surface: insight from molecular dynamics simulations
inferred← citeshttps://doi.org/10.1080/1539445x.2019.1688834openalex-snapshot
Aggregation and pressure effects of asphaltene and resin molecules at oil–water interfaces: a coarse-grained molecular dynamics and free energy study
inferred← citeshttps://doi.org/10.1088/0953-8984/28/39/394002openalex-snapshot
Aggregation of model asphaltenes: a molecular dynamics study
inferred← citeshttps://doi.org/10.1088/1755-1315/516/1/012034openalex-snapshot
Fractionation of Aschalcha extra heavy oil resins and studying their structure
inferred← citeshttps://doi.org/10.1088/2053-1591/ab437eopenalex-snapshot
Rationality evaluation index of asphalt molecular model
inferred← citeshttps://doi.org/10.1134/s0965544111030066openalex-snapshot
Fractionation of resins and asphaltenes and investigation of their composition and structure using heavy oil from the Usa field as an example
inferred← citeshttps://doi.org/10.1134/s0965544112020077openalex-snapshot
Aromatic sulfur-containing structural units of resins and asphaltenes in heavy hydrocarbon feedstock
inferred← citeshttps://doi.org/10.11606/t.43.2021.tde-21092021-112634openalex-snapshot
Molecular Modeling of Nanostructured Additives to Asphaltic Materials
inferred← citeshttps://doi.org/10.1190/rdp2018-41463673.1openalex-snapshot
Development of a Predictive Molecular Model for Abu Dhabi Crude Oils Phase Behavior
inferred← citeshttps://doi.org/10.2118/189465-paopenalex-snapshot
Construction, Validation, and Application of Digital Oil: Investigation of Asphaltene Association Toward Asphaltene-Precipitation Prediction
inferred← citeshttps://doi.org/10.2118/202294-msopenalex-snapshot
Practical Prediction of Asphaltene Mitigation Based on Dynamic Asphaltene Inhibitor Test DAIT
inferred← citeshttps://doi.org/10.2118/213613-msopenalex-snapshot
Exploration of Novel Sacrificial Fluids for Asphaltene Adsorption Remediation
inferred← citeshttps://doi.org/10.2118/213613-paopenalex-snapshot
Evaluation of Polymers as a Strategy to Reduce Asphaltene Adsorption on Rock Surface
inferred← citeshttps://doi.org/10.2118/231498-msopenalex-snapshot
Underlying Oil Recovery Mechanism by Viscoelasticity Change Through Fluid-Fluid Interaction Between Low Salinity Water and Polar Heavy Ends: A Comprehensive Review
inferred← citeshttps://doi.org/10.22533/at.ed.1582206011openalex-snapshot
ANÁLISE DE BIOMARCADORES EM ROCHAS CRETÁCEAS DA BACIA DE SÃO LUIS
inferred← citeshttps://doi.org/10.22533/at.ed.15822060110openalex-snapshot
ESTUDO IN SILICO DE ESTRUTURAS ASFALTÊNICAS UTILIZANDO DINÂMICA MOLECULAR E TEORIA DO FUNCIONAL DA DENSIDADE
inferred← citeshttps://doi.org/10.22533/at.ed.15822060111openalex-snapshot
OCORRÊNCIA E DISTRIBUIÇÃO DE HIDROCARBONETOS AROMÁTICOS EM ROCHAS SEDIMENTARES DA FORMAÇÃO CODÓ – CRETÁCEO (BACIA DO PARNAÍBA)
inferred← citeshttps://doi.org/10.22533/at.ed.15822060113openalex-snapshot
CONTAMINANTES ORGÂNICOS PERSISTENTES EM SEDIMENTOS DO RIO PARNAÍBA, TERESINA – BRASIL
inferred← citeshttps://doi.org/10.22533/at.ed.15822060114openalex-snapshot
PRESERVAÇÃO DE GEOPOLÍMEROS NO REGISTRO ESTRATIGRÁFICO E SUAS IMPLICAÇÕES PALEOAMBIENTAIS
inferred← citeshttps://doi.org/10.22533/at.ed.1582206012openalex-snapshot
ANÁLISE DE BIOMARCADORES NEUTROS EM SEDIMENTO DA FORMAÇÃO SERRA ALTA - PERMIANO (BACIA DO PARANÁ)
inferred← citeshttps://doi.org/10.22533/at.ed.1582206013openalex-snapshot
ANÁLISE DE HIDROCARBONETOS SATURADOS E CAROTENOIDES AROMÁTICOS EM AMOSTRA DE FOLHELHO DAS CAMADAS BATATEIRA, BACIA DO ARARIPE
inferred← citeshttps://doi.org/10.22533/at.ed.1582206014openalex-snapshot
APLICAÇÃO DOS CROMANS NA AVALIAÇÃO DA SALINIDADE E INFLUXO DE ÁGUA DOCE EM FOLHELHOS DA FORMAÇÃO IRATI, BACIA DO PARANÁ
inferred← citeshttps://doi.org/10.22533/at.ed.1582206015openalex-snapshot
AVALIAÇÃO DA ORIGEM E EVOLUÇÃO TÉRMICA DA MATÉRIA ORGÂNICA REGISTRADA EM FÁCIES DA FORMAÇÃO IRATI AFETADAS POR INTRUSÕES ÍGNEAS (REGISTRO PERMIANO DA PORÇÃO NORTE DA BACIA DO PARANÁ), UTILIZANDOSE BIOMARCADORES
inferred← citeshttps://doi.org/10.22533/at.ed.1582206016openalex-snapshot
BIOMARCADORES PRESERVADOS EM CARBONATOS NEOPROTEROZOICOS REGISTRADOS NA FAZENDA ARRECIFE (FORMAÇÃO SALITRE) – BAHIA
inferred← citeshttps://doi.org/10.22533/at.ed.1582206018openalex-snapshot
COMPOSTOS POLARES EM PETRÓLEO APLICADOS A PROCESSOS GEOCROMATOGRÁFICOS
inferred← citeshttps://doi.org/10.22533/at.ed.1582206019openalex-snapshot
DISTRIBUIÇÃO ESPACIAL DOS INTERVALOS OIL SHALE PERMIANOS DA BACIA DO PARANÁ
inferred← citeshttps://doi.org/10.23860/diss-masoori-mohammad-2015openalex-snapshot
RHEOLOGICAL AND THERMODYNAMIC PROPERTIES OF MODEL ASPHALT USING FFT AND GROUP CONTRIBUTION METHODS
inferred← citeshttps://doi.org/10.2516/ogst/2012039openalex-snapshot
Molecular Dynamics Simulation of Spontaneous Imbibition in Nanopores and Recovery of Asphaltenic Crude Oils Using Surfactants for EOR Applications
inferred← citeshttps://doi.org/10.2516/ogst/2016011openalex-snapshot
A Review of Kinetic Modeling Methodologies for Complex Processes
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