Effect of molecular structure on low-temperature properties of bitumen based on molecular dynamics

Investigation on the low temperature properties of asphalt binder: Glass transition temperature and modulus shift factor

(2020) Di Wang et al.   CONSTRUCTION AND BUILDING MATERIALS

An improved chemical system for molecular simulations of asphalt

(2019) Meng Xu et al.   ENERGY & FUELS

Molecular dynamics investigation of interfacial adhesion between oxidised bitumen and mineral surfaces

(2019) Yangming Gao et al.   APPLIED SURFACE SCIENCE

Molecular dynamics study on the glass forming process of asphalt

(2019) Yang Kang et al.   CONSTRUCTION AND BUILDING MATERIALS

Effects of SARA fractions on low temperature properties of asphalt binders

(2019) Tao Wang et al.   Road Materials and Pavement Design

Considerations for using the 4 mm Plate Geometry in the Dynamic Shear Rheometer for Low Temperature Evaluation of Asphalt Binders

(2019) Ramez Hajj et al.   TRANSPORTATION RESEARCH RECORD

Molecular dynamics study on influence of Nano-ZnO/SBS on physical properties and molecular structure of asphalt binder

(2019) Manman Su et al.   FUEL

Understanding the low temperature properties of Terminal Blend hybrid asphalt through chemical and thermal analysis methods

(2018) Peng Lin et al.   CONSTRUCTION AND BUILDING MATERIALS

Investigating molecular conformation and packing of oxidized asphaltene molecules in presence of paraffin wax

(2018) Alireza Samieadel et al.   FUEL

Intrinsic temperature sensitive self-healing character of asphalt binders based on molecular dynamics simulations

(2018) Daquan Sun et al.   FUEL

Influence of Paraffin on the Microproperties of Asphalt Binder Using MD Simulation

(2018) Xin Qu et al.   JOURNAL OF MATERIALS IN CIVIL ENGINEERING

Effect of Co-Production of Renewable Biomaterials on the Performance of Asphalt Binder in Macro and Micro Perspectives

(2018) Xin Qu et al.   Materials

Evaluation of Asphalt Mixture Low-Temperature Performance in Bending Beam Creep Test

(2018) Marek Pszczola et al.   Materials

All-Hydrocarbon Staples and Their Effect over Peptide Conformation under Different Force Fields

(2018) Bianca Villavicencio et al.   Journal of Chemical Information and Modeling

Automated Topology Builder Version 3.0: Prediction of Solvation Free Enthalpies in Water and Hexane

(2018) Martin Stroet et al.   Journal of Chemical Theory and Computation

Molecular dynamics simulation of linear polyethylene blends: Effect of molar mass bimodality on topological characteristics and mechanical behavior

(2018) Ali Moyassari et al.   POLYMER

Molecular dynamics modeling and simulation of bituminous binder chemical aging due to variation of oxidation level and saturate-aromatic-resin-asphaltene fraction

(2018) Farshad Fallah et al.   FUEL

Molecular dynamics study of oxidative aging effect on asphalt binder properties

(2017) Guangji Xu et al.   FUEL

Evaluation of thermo-mechanical properties of graphene/carbon-nanotubes modified asphalt with molecular simulation

(2017) Xinxing Zhou et al.   MOLECULAR SIMULATION

Diffusion of asphaltene, resin, aromatic and saturate components of asphalt on mineral aggregates surface: molecular dynamics simulation

(2017) Meng Guo et al.   Road Materials and Pavement Design

Relationship between glass transition temperature and low temperature properties of oil modified binders

(2016) Zhang Lei et al.   CONSTRUCTION AND BUILDING MATERIALS

Molecular Dynamics Study of Nanoaggregation in Asphaltene Mixtures: Effects of the N, O, and S Heteroatoms

(2016) Hugo Santos Silva et al.   ENERGY & FUELS

Molecular dynamics simulation of physicochemical properties of the asphalt model

(2016) Hui Yao et al.   FUEL

Asphalt concrete resistance against fracture at low temperatures under different modes of loading

(2015) S. Pirmohammad et al.   COLD REGIONS SCIENCE AND TECHNOLOGY

Investigating the Interactions of the Saturate, Aromatic, Resin, and Asphaltene Four Fractions in Asphalt Binders by Molecular Simulations

(2015) Peng Wang et al.   ENERGY & FUELS

Glass Transition and Molecular Mobility in Styrene–Butadiene Rubber Modified Asphalt

(2015) Fardin Khabaz et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Polymeric Wax Inhibitors and Pour Point Depressants for Waxy Crude Oils: A Critical Review

(2014) Fei Yang et al.   JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Chemical compositions of improved model asphalt systems for molecular simulations

(2013) Derek D. Li et al.   FUEL

Glass Transition and Phase Stability in Asphalt Binders

(2012) Pavel Kriz et al.   Road Materials and Pavement Design

Definition and testing of the GROMOS force-field versions 54A7 and 54B7

(2011) Nathan Schmid et al.   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

Validation of the GROMOS 54A7 Force Field with Respect to β-Peptide Folding

(2011) Wei Huang et al.   Journal of Chemical Theory and Computation

Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant

(2011) Carl Caleman et al.   Journal of Chemical Theory and Computation

New Low-Temperature Performance-Grading Method

(2011) Changping Sui et al.   TRANSPORTATION RESEARCH RECORD

New Colloidal Stability Index for Crude Oils Based on Polarity of Crude Oil Components

(2010) Victor V. Likhatsky et al.   ENERGY & FUELS

The Modified Yen Model†

(2010) Oliver C. Mullins   ENERGY & FUELS

On the existence of wax-induced phase separation in bitumen

(2010) Alexander Schmets et al.   International Journal of Pavement Engineering

Rotational relaxation times of individual compounds within simulations of molecular asphalt models

(2010) Liqun Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Use of Molecular Dynamics to Investigate Self-Healing Mechanisms in Asphalt Binders

(2010) Amit Bhasin et al.   JOURNAL OF MATERIALS IN CIVIL ENGINEERING

Role of Resins on Asphaltene Stability†

(2009) Mohammad Sedghi et al.   ENERGY & FUELS

The colloidal structure of bitumen: Consequences on the rheology and on the mechanisms of bitumen modification

(2008) Didier Lesueur   ADVANCES IN COLLOID AND INTERFACE SCIENCE

Molecular Thermodynamic Approach to the Formation of Mixed Asphaltene−Resin Aggregates

(2008) E. Rogel   ENERGY & FUELS

Relationship between chemical and rheological properties of two asphalts of different origins

(2008) Peter Michalica et al.   FUEL

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation