Aggregation Behavior of Asphalt on the Natural Gas Hydrate Surface with Different Surfactant Coverages

Molecular dynamics simulation to investigate the effect of polythiophene-coated Fe3O4 nanoparticles on asphaltene precipitation

(2021) Simin Tazikeh et al.   CHEMICAL ENGINEERING SCIENCE

Mechanical behaviors of hydrate-bearing sediment with different cementation spatial distributions at microscales

(2021) Yanghui Li et al.   iScience

On the characterization of amine molecules behaviors in the nanochannels forming in calcium silicate hydrate gel

(2021) Dawei Sun et al.   APPLIED SURFACE SCIENCE

Viscosity investigation on metastable hydrate suspension in oil-dominated systems

(2021) Zaixing Liu et al.   CHEMICAL ENGINEERING SCIENCE

Triaxial tests on the overconsolidated methane hydrate-bearing clayey-silty sediments

(2021) Peng Wu et al.   JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING

Adsorption characteristics of CH4 and CO2 in organic-inorganic slit pores

(2020) Cong Chen et al.   FUEL

Synergistic and Antagonistic Effects of Aromatics on the Agglomeration of Gas Hydrates

(2020) Tai Bui et al.   Scientific Reports

Bi-fractal and bi-Gaussian theories to evaluate impact of polythiophene-coated Fe3O4 nanoparticles on asphaltene precipitation and surface topography

(2020) Simin Tazikeh et al.   FUEL

Rheology of methane hydrate slurries formed from water-in-oil emulsion with different surfactants concentrations

(2020) Zaixing Liu et al.   FUEL

Gas supersaturation and diffusion joint controlled CH4 nanobubble evolution during hydrate dissociation

(2020) Cong Chen et al.   JOURNAL OF MOLECULAR LIQUIDS

Intermolecular interaction characteristics of the all-carboatomic ring, cyclo[18]carbon: Focusing on molecular adsorption and stacking

(2020) Zeyu Liu et al.   CARBON

Mechanical Characteristics of Hydrate-Bearing Sediment: A Review

(2020) Peng Wu et al.   ENERGY & FUELS

CH4 adsorption and diffusion in shale pores from molecular simulation and a model for CH4 adsorption in shale matrix

(2019) Cong Chen et al.   INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER

Molecular dynamics simulation of a lignite structure simplified model absorbing water

(2019) Zherui Chen et al.   MOLECULAR SIMULATION

Simulation and computer modeling of asphaltene in different solvents on oil-water interfaces using a molecular dynamic methodology

(2019) Jing Yuan et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Molecular simulation of penetration separation for ethanol/water mixtures using two-dimensional nanoweb graphynes

(2018) Wei Zhang et al.   CHINESE JOURNAL OF CHEMICAL ENGINEERING

A new insight into asphaltenes aggregation onset at molecular level in crude oil (an MD simulation study)

(2018) Mohammed H. Khalaf et al.   JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING

Synergistic Adsorption of Polyaromatic Compounds on Silica Surfaces Studied by Molecular Dynamics Simulation

(2018) Yong Xiong et al.   Journal of Physical Chemistry C

Antiagglomerants Affect Gas Hydrate Growth

(2018) Tai Bui et al.   Journal of Physical Chemistry Letters

Applications of hybrid models in chemical, petroleum, and energy systems: A systematic review

(2018) Sohrab Zendehboudi et al.   APPLIED ENERGY

Distributions of diluted bitumen and conventional crude oil in a range of water types

(2018) Lindsay J. Hounjet et al.   CHEMOSPHERE

A comparison of different water models for melting point calculation of methane hydrate using molecular dynamics simulations

(2018) Nilesh Choudhary et al.   CHEMICAL PHYSICS

Impact of H-Bonds and Porphyrins on Asphaltene Aggregation As Revealed by Molecular Dynamics Simulations

(2018) H. Santos Silva et al.   ENERGY & FUELS

Effects of Combined Sorbitan Monolaurate Anti-Agglomerants on Viscosity of Water-in-Oil Emulsion and Natural Gas Hydrate Slurry

(2017) Yining Lv et al.   Energies

Simulation of Asphaltene Aggregation through Molecular Dynamics: Insights and Limitations

(2017) T. F. Headen et al.   ENERGY & FUELS

1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase Simulations

(2017) Leela S. Dodda et al.   JOURNAL OF PHYSICAL CHEMISTRY B

LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands

(2017) Leela S. Dodda et al.   NUCLEIC ACIDS RESEARCH

Molecular dynamics simulation of physicochemical properties of the asphalt model

(2016) Hui Yao et al.   FUEL

Anti-agglomeration of natural gas hydrates in liquid condensate and crude oil at constant pressure conditions

(2016) Huangjing Zhao et al.   FUEL

Investigating molecular interactions and surface morphology of wax-doped asphaltenes

(2016) Farideh Pahlavan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Natural gas hydrate formation and inhibition in gas/crude oil/aqueous systems

(2015) Nagu Daraboina et al.   FUEL

Molecular Dynamics Simulation to Investigate the Influence of SBS on Molecular Agglomeration Behavior of Asphalt

(2015) Yongjie Ding et al.   JOURNAL OF MATERIALS IN CIVIL ENGINEERING

Molecular Dynamics Study on the Growth Mechanism of Methane plus Tetrahydrofuran Mixed Hydrates

(2015) Jyun-Yi Wu et al.   Journal of Physical Chemistry C

Molecular Dynamics Simulation: The Behavior of Asphaltene in Crude Oil and at the Oil/Water Interface

(2014) Fengfeng Gao et al.   ENERGY & FUELS

Cooee bitumen. II. Stability of linear asphaltene nanoaggregates

(2014) Claire A. Lemarchand et al.   JOURNAL OF CHEMICAL PHYSICS

Chemical compositions of improved model asphalt systems for molecular simulations

(2013) Derek D. Li et al.   FUEL

Interfacial Rheology of Asphaltenes at Oil–Water Interfaces and Interpretation of the Equation of State

(2013) Jayant P. Rane et al.   LANGMUIR

Atomistic simulations of friction at an ice-ice interface

(2013) N. Samadashvili et al.   Friction

Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithm

(2012) Tian Lu et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Probing Structure–Nanoaggregation Relations of Polyaromatic Surfactants: A Molecular Dynamics Simulation and Dynamic Light Scattering Study

(2012) Robel B. Teklebrhan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Dynamics Studies of Fluid/Oil Interfaces for Improved Oil Recovery Processes

(2012) Lucas S. de Lara et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Probing Molecular Interactions of an Asphaltene Model Compound in Organic Solvents Using a Surface Forces Apparatus (SFA)

(2011) Jing Wang et al.   ENERGY & FUELS

Density Functional Theory Investigation of the Contributions of π–π Stacking and Hydrogen-Bonding Interactions to the Aggregation of Model Asphaltene Compounds

(2011) Leonardo M. da Costa et al.   ENERGY & FUELS

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Molecular Orientation of Asphaltenes and PAH Model Compounds in Langmuir−Blodgett Films Using Sum Frequency Generation Spectroscopy

(2011) A. Ballard Andrews et al.   LANGMUIR

Interfacial mechanisms governing cyclopentane clathrate hydrate adhesion/cohesion

(2011) Zachary M. Aman et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A multiscale approach to the simulation of asphaltenes

(2011) Francesco Frigerio et al.   Computational and Theoretical Chemistry

Estimating the Hydrogen Bond Energy

(2010) Katharina Wendler et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Effect of Dispersant on Asphaltene Suspension Dynamics: Aggregation and Sedimentation

(2010) Sara M. Hashmi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Self-Accumulation of Aromatics at the Oil−Water Interface through Weak Hydrogen Bonding

(2010) Makoto Kunieda et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Aggregation and Partitioning of Model Asphaltenes at Toluene−Water Interfaces: Molecular Dynamics Simulations

(2009) Tetyana Kuznicki et al.   ENERGY & FUELS

Effects of Heteroatoms on Aromatic π−π Interactions: Benzene−Pyridine and Pyridine Dimer

(2009) Edward G. Hohenstein et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Clathrate Hydrates in Nature

(2008) Keith C. Hester et al.   Annual Review of Marine Science

Molecular Dynamics Study of Model Molecules Resembling Asphaltene-Like Structures in Aqueous Organic Solvent Systems

(2008) Tetyana Kuznicki et al.   ENERGY & FUELS

Effects of Polymer Modification on Properties and Microstructure of Model Asphalt Systems

(2008) Liqun Zhang et al.   ENERGY & FUELS

Direct Imaging of Aligned Neurofilament Networks Assembled Using In Situ Dialysis in Microchannels

(2008) H. C. Hesse et al.   LANGMUIR