Unraveling oxidative aging behavior of asphaltenes using ab initio molecular dynamics and static density functional theory

Understanding How Polyphosphoric Acid Changes Bitumen’s Response to Water Exposure

(2021) Masoumeh Mousavi et al.   ACS Sustainable Chemistry & Engineering

Dynamic chemistry based self-healing of asphalt modified by diselenide-crosslinked polyurethane elastomer

(2021) Lei Lyu et al.   CONSTRUCTION AND BUILDING MATERIALS

Study on the Swelling Behavior of Clayey Soil Blended with Geocell and Jute Fibre

(2021) Sanjeev Kumar et al.   Civil Engineering Journal-Tehran

Investigating the bio-rejuvenator effects on aged asphalt through exploring molecular evolution and chemical transformation of asphalt components during oxidative aging and regeneration

(2021) Dongliang Hu et al.   Journal of Cleaner Production

Investigating the aging mechanism of asphaltene and its dependence on environmental factors through AIMD simulations and DFT calculations

(2021) Dongliang Hu et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Modeling the Oxidative Aging Kinetics and Pathways of Asphalt: A ReaxFF Molecular Dynamics Study

(2020) Dongliang Hu et al.   ENERGY & FUELS

A Multiphysics Evaluation of the Rejuvenator Effects on Aged Asphalt Using Molecular Dynamics Simulations

(2020) Bingyan Cui et al.   JOURNAL OF CLEANER PRODUCTION

Fast atom effect on helium gas/graphite interfacial energy transfer

(2020) Lin Zhang et al.   CARBON

Reliability assessment of flexural fatigue failure of asphalt mixture: A new perspective

(2020) Yanshun Jia et al.   CONSTRUCTION AND BUILDING MATERIALS

Machine Learning Predicts Degree of Aromaticity from Structural Fingerprints

(2020) David J. Ponting et al.   Journal of Chemical Information and Modeling

Investigating the effects of waste oil and styrene-butadiene rubber on restoring and improving the viscoelastic, compatibility, and aging properties of aged asphalt

(2020) Shisong Ren et al.   CONSTRUCTION AND BUILDING MATERIALS

The Onset of Dehydrogenation in Solid Ammonia Borane: An Ab Initio Metadynamics Study

(2019) Valerio Rizzi et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Evaluating Crack Resistance of Asphalt Mixture Based on Essential Fracture Energy and Fracture Toughness

(2019) Jiupeng Zhang et al.   International Journal of Geomechanics

Few-layer NbSe2@graphene heterostructures as anodes in lithium-ion half- and full-cell batteries

(2019) Quoc Hai Nguyen et al.   CHEMICAL ENGINEERING JOURNAL

Exploiting Synergistic Effects of Intermolecular Interactions To Synthesize Hybrid Rejuvenators To Revitalize Aged Asphalt

(2019) Farideh Pahlavan et al.   ACS Sustainable Chemistry & Engineering

New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community

(2019) Benjamin P. Pritchard et al.   Journal of Chemical Information and Modeling

Selective adsorption of bio-oils’ molecules onto rubber surface and its effects on stability of rubberized asphalt

(2019) Sk Faisal Kabir et al.   JOURNAL OF CLEANER PRODUCTION

Physical, rheological and chemical characterization of aging behaviors of thermochromic asphalt binder

(2018) Henglong Zhang et al.   FUEL

Characterization of oxidized asphaltenes and the restorative effect of a bio-modifier

(2018) Farideh Pahlavan et al.   FUEL

H-Abstraction reactions by OH, HO2, O, O2 and benzyl radical addition to O2 and their implications for kinetic modelling of toluene oxidation

(2018) M. Pelucchi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Synthesis of Asphalt Binder Aging and the State of the Art of Antiaging Technologies

(2017) Panos Apostolidis et al.   TRANSPORTATION RESEARCH RECORD

Analysis of Adhesive Characteristics of Asphalt Based on Atomic Force Microscopy and Molecular Dynamics Simulation

(2016) Meng Xu et al.   ACS Applied Materials & Interfaces

Asphaltene Densities and Solubility Parameter Distributions: Impact on Asphaltene Gradients

(2016) Estrella Rogel et al.   ENERGY & FUELS

Rheological and structural evolution of SBS modified asphalts under natural weathering

(2016) Xinyu Zhao et al.   FUEL

Multiscale Investigation of Oxidative Aging in Biomodified Asphalt Binder

(2016) Masoumeh Mousavi et al.   Journal of Physical Chemistry C

The ReaxFF reactive force-field: development, applications and future directions

(2016) Thomas P Senftle et al.   npj Computational Materials

Characterization of Asphaltene Fractions: Distribution, Chemical Characteristics, and Solubility Behavior

(2015) Estrella Rogel et al.   ENERGY & FUELS

Unraveling the Molecular Structures of Asphaltenes by Atomic Force Microscopy

(2015) Bruno Schuler et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hybrid life cycle assessment for asphalt mixtures with high RAP content

(2014) Qazi Aurangzeb et al.   RESOURCES CONSERVATION AND RECYCLING

Effects of carbon black on the anti aging, rheological and conductive properties of SBS/asphalt/carbon black composites

(2013) Peiliang Cong et al.   CONSTRUCTION AND BUILDING MATERIALS

Advances in Asphaltene Science and the Yen–Mullins Model

(2012) Oliver C. Mullins et al.   ENERGY & FUELS

Natural Antioxidants: Sources, Compounds, Mechanisms of Action, and Potential Applications

(2011) M.S. Brewer   COMPREHENSIVE REVIEWS IN FOOD SCIENCE AND FOOD SAFETY

The Modified Yen Model†

(2010) Oliver C. Mullins   ENERGY & FUELS

The molecular basis of working mechanism of natural polyphenolic antioxidants

(2010) Monica Leopoldini et al.   FOOD CHEMISTRY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Do Special Noncovalent π–π Stacking Interactions Really Exist?

(2008) Stefan Grimme   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION