Nature of carbon black reinforcement of rubber: Perspective on the original polymer nanocomposite

CG Robertson, NJ Hardman - Polymers, 2021 - mdpi.com
Adding carbon black (CB) particles to elastomeric polymers is essential to the successful
industrial use of rubber in many applications, and the mechanical reinforcing effect of CB in …

On the mechanism of soot nucleation

M Frenklach, AM Mebel - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
The mechanism of carbon particulate (soot) inception has been a subject of numerous
studies and debates. The article begins with a critical review of prior proposals, proceeds to …

Quantity of flowback and produced waters from unconventional oil and gas exploration

AJ Kondash, E Albright, A Vengosh - Science of the Total Environment, 2017 - Elsevier
The management and disposal of flowback and produced waters (FP water) is one of the
greatest challenges associated with unconventional oil and gas development. The …

Growth of graphene on Ir (111)

J Coraux, AT N'Diaye, M Engler, C Busse… - New Journal of …, 2009 - iopscience.iop.org
Catalytic decomposition of hydrocarbons on transition metals attracts a renewed interest as
a route toward high-quality graphene prepared in a reproducible manner. Here we employ …

The core–shell internal nanostructure of soot–A criterion to model soot maturity

MR Kholghy, A Veshkini, MJ Thomson - Carbon, 2016 - Elsevier
A novel model called Surface Shell Formation (SSF) is developed which predicts soot
maturity based on the equilibrium nanostructure of poly aromatic hydrocarbons (PAHs) …

Formation mechanism of polycyclic aromatic hydrocarbons beyond the second aromatic ring

VV Kislov, AI Sadovnikov, AM Mebel - The Journal of Physical …, 2013 - ACS Publications
The formation mechanism of polycyclic aromatic hydrocarbons (PAH) with three fused
aromatic rings starting from naphthalene has been studied using accurate ab initio G3 (MP2 …

Evidence for graphene growth by C cluster attachment

E Loginova, NC Bartelt, PJ Feibelman… - New Journal of …, 2008 - iopscience.iop.org
Using low-energy electron microscopy (LEEM), we have measured the local concentration
of mobile carbon adatoms from which graphene sheets form on a Ru (0001) surface, and …

Factors influencing graphene growth on metal surfaces

E Loginova, NC Bartelt, PJ Feibelman… - New Journal of …, 2009 - iopscience.iop.org
Graphene forms from a relatively dense, tightly bound C-adatom gas when elemental C is
deposited on or segregates to the Ru (0001) surface. Nonlinearity of the graphene growth …

Detailed, sterically-resolved modeling of soot oxidation: Role of O atoms, interplay with particle nanostructure, and emergence of inner particle burning

M Frenklach, Z Liu, RI Singh, GR Galimova… - Combustion and …, 2018 - Elsevier
A newly-developed detailed mechanism of soot oxidation was tested against experimental
observations. The computations were performed at an atomistic level and with a detailed …

Detailed kinetic Monte Carlo simulations of graphene-edge growth

R Whitesides, M Frenklach - The Journal of Physical Chemistry A, 2010 - ACS Publications
A new detailed chemical-kinetic Monte Carlo model of graphene-edge growth is presented.
The model employs a fine-grained approach to chemically resolved species, allows for …