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

Bhasin, Amit; Bommavaram, Rammohan; Greenfield, Michael L.; Little, Dallas N.

doi:10.1061/(asce)mt.1943-5533.0000200

Cited by 175 publications

(49 citation statements)

References 14 publications

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“…The compass force field was used only for describing atomic level interactions in molecular models. According to the literature, the saturates, aromatics, and asphaltenes in aged bitumen were modeled as a straight chain alkane C22H46, 1,7-dimethyl-naphthalene [23,24], and Groenzin's and Mullin's model C72H98S [25], respectively.…”

Section: Molecular Dynamic Simulationmentioning

confidence: 99%

Study of the Diffusion of Rejuvenators and Its Effect on Aged Bitumen Binder

Xiao

Wang

et al. 2017

Applied Sciences

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Aged asphalt mixture is heavily involved in pavement maintenance and renewed construction because of the development of recycling techniques. The aged bitumen binder has partially lost its viscous behavior. Rejuvenators are therefore designed and used in this recycling procedure to enhance the behavior of such aged reclaimed bitumen. However, tests have not yet been clearly specified to understand the diffusion characteristics of rejuvenators in aged bitumen. In this research, molecular dynamic simulation is proposed and conducted with Materials Studio software to study the diffusion behavior of rejuvenators in aged bitumen at the molecular level. Two rejuvenators, named R-1 and R-2, were included. The difference between these two rejuvenators is their chemical composition of C=O. The diffusion coefficient is determined by studying the molecular movement. Results illustrate that the proposed models can be used to study the diffusion of rejuvenators in aged bitumen sufficiently. In the meantime, a dynamic shear rheometer (DSR) is used to evaluate the recovery influence on aged bitumen resulting from rejuvenators. The experimental results strengthen the model simulations and indicate that the aging index of bitumen has a significant influence on the rejuvenating effect. Research results indicate that rejuvenators have a sufficient rejuvenating effect on the long-term aged bitumen and a limited effect on short-term aged bitumen.

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Section: Molecular Dynamic Simulationmentioning

confidence: 99%

Study of the Diffusion of Rejuvenators and Its Effect on Aged Bitumen Binder

Xiao

Wang

et al. 2017

Applied Sciences

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“…However, the subsequent time-dependent intrinsic healing is usually assumed to be due to the self-diffusion of asphalt cement molecules across the crack interface (cf. [96,97]). These healing features are opposite to those normally associated with CDM.…”

Section: Model Validation Against Repeated Creep-recovery Testsmentioning

confidence: 99%

Thermodynamic‐based model for coupling temperature‐dependent viscoelastic, viscoplastic, and viscodamage constitutive behavior of asphalt mixtures

Darabi

Al‐Rub

Masad

et al. 2011

Num Anal Meth Geomechanics

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SUMMARYBased on the continuum damage mechanics, a general and comprehensive thermodynamic-based framework for coupling the temperature-dependent viscoelastic, viscoplastic, and viscodamage behaviors of bituminous materials is presented. This general framework derives systematically Schapery-type nonlinear viscoelasticity, Perzyna-type viscoplasticity, and a viscodamage model analogous to the Perzyna-type viscoplasticity. The resulting constitutive equations are implemented in the well-known finite element code Abaqus via the user material subroutine UMAT. A systematic procedure for identifying the model parameters is discussed. Finally, the model is validated by comparing the model predictions with a comprehensive set of experimental data on hot mix asphalt that include creep-recovery, creep, uniaxial constant strain rate, and repeated creep-recovery tests in both tension and compression over a range of temperatures, stress levels, and strain rates. Comparisons between model predictions and experimental measurements show that the presented constitutive model is capable of predicting the nonlinear behavior of asphaltic mixes under different loading conditions.

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“…Self‐diffusivity represents random motion of molecules in the absence of gradients that cause mass flux. Based on this theory, Bhasin et al used molecular simulation techniques to investigate the correlation of chain length and chain branching to self‐diffusivity of binder molecules. The findings were consistent with previous studies and expanded on the understanding of the relationship between molecular architecture, self‐diffusivity, and self‐healing properties of asphalt binders.…”

Section: Introductionmentioning

confidence: 99%

Self‐Healing Asphalt Review: From Idea to Practice

García

et al. 2018

Adv Materials Inter

126

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In recent decades, researchers have revealed the great healing potential of asphalt and proposed various novel methods to inspire and improve the self‐healing capacity of asphalt aimed to prolong the service life of asphalt pavement. In this review, up to date research progresses in induction healing and embedded rejuvenator encapsulation are presented, respectively. Meanwhile, the trial section applications of induction healing and capsule healing are highlighted, which show promising results. Finally, some recommendations for the future development of self‐healing asphalt are proposed.

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

Cited by 175 publications

References 14 publications

Study of the Diffusion of Rejuvenators and Its Effect on Aged Bitumen Binder

Study of the Diffusion of Rejuvenators and Its Effect on Aged Bitumen Binder

Thermodynamic‐based model for coupling temperature‐dependent viscoelastic, viscoplastic, and viscodamage constitutive behavior of asphalt mixtures

Self‐Healing Asphalt Review: From Idea to Practice

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