[HTML][HTML] Classical and reactive molecular dynamics: Principles and applications in combustion and energy systems
Molecular dynamics (MD) has evolved into a ubiquitous, versatile and powerful
computational method for fundamental research in science branches such as biology …
computational method for fundamental research in science branches such as biology …
Surfactant-mediated wetting and spreading: Recent advances and applications
NM Kovalchuk, MJH Simmons - Current Opinion in Colloid & Interface …, 2021 - Elsevier
Surfactant-mediated wetting and spreading are ubiquitous. Understanding of these
phenomena in-depth allows precise tailoring of wetting performance which can contribute to …
phenomena in-depth allows precise tailoring of wetting performance which can contribute to …
The fluid mechanics of cleaning and decontamination of surfaces
The removal of unwanted entities or soiling material from surfaces is an essential operation
in many personal, industrial, societal, and environmental applications. The use of liquid …
in many personal, industrial, societal, and environmental applications. The use of liquid …
Expanding the applications of the SAFT-γ Mie group-contribution equation of state: prediction of thermodynamic properties and phase behavior of mixtures
AJ Haslam, A González-Pérez, S Di Lecce… - Journal of Chemical & …, 2020 - ACS Publications
We present the latest developments in thermodynamic modeling using the SAFT-γ Mie
group-contribution equation of state. The group database is updated, featuring now 58 …
group-contribution equation of state. The group database is updated, featuring now 58 …
Molecular droplets vs bubbles: Effect of curvature on surface tension and Tolman length
Droplets and bubbles are thought to be two sides of the same coin; this work determines
how true this is at the molecular scale. Stable cylindrical nanodroplets and nanobubbles are …
how true this is at the molecular scale. Stable cylindrical nanodroplets and nanobubbles are …
Nanoscale sheared droplet: volume-of-fluid, phase-field and no-slip molecular dynamics
The motion of the three-phase contact line between two immiscible fluids and a solid surface
arises in a variety of wetting phenomena and technological applications. One challenge in …
arises in a variety of wetting phenomena and technological applications. One challenge in …
Steady moving contact line of water over a no-slip substrate: Challenges in benchmarking phase-field and volume-of-fluid methods against molecular dynamics …
The movement of the triple contact line plays a crucial role in many applications such as ink-
jet printing, liquid coating and drainage (imbibition) in porous media. To design accurate …
jet printing, liquid coating and drainage (imbibition) in porous media. To design accurate …
[HTML][HTML] Coupled atomistic–continuum simulations of nucleate boiling
Boiling is a striking example of a multiscale process, where the dynamics of bubbles is
governed by the interplay between the molecular interactions responsible for nucleation …
governed by the interplay between the molecular interactions responsible for nucleation …
Hydrodynamic density-functional theory for the moving contact-line problem reveals fluid structure and emergence of a spatially distinct pattern
Understanding the nanoscale effects controlling the dynamics of a contact line—defined as
the line formed at the junction of two fluid phases and a solid—has been a longstanding …
the line formed at the junction of two fluid phases and a solid—has been a longstanding …
[BOOK][B] Drop Dynamics and Dropwise Condensation on Textured Surfaces
S Khandekar, K Muralidhar - 2020 - Springer
This book is an expanded form of our previous monograph, Khandekar S. and Muralidhar K.,
Dropwise Condensation on Inclined Textured Surfaces, Springer, 2013. Here, we had …
Dropwise Condensation on Inclined Textured Surfaces, Springer, 2013. Here, we had …