Revealing the impacts of chemical complexity on submicrometer sea spray aerosol morphology
AC Dommer, NA Wauer, KJ Angle, A Davasam… - ACS central …, 2023 - ACS Publications
Sea spray aerosol (SSA) ejected through bursting bubbles at the ocean surface is a complex
mixture of salts and organic species. Submicrometer SSA particles have long atmospheric …
mixture of salts and organic species. Submicrometer SSA particles have long atmospheric …
Novel easy to fabricate liquid crystal composite with potential for electrically or thermally controlled transparency windows
Switchable liquid crystal (LC) composites are a unique and attractive class of functional
materials due to their extensive use in various applications including smart and privacy …
materials due to their extensive use in various applications including smart and privacy …
Surface tension at the interface between aqueous solution of surfactant and alkane. A comprehensive quantum chemical and thermodynamic approach
ES Kartashynska, SV Lylyk, EV Aksenenko… - Colloids and Surfaces A …, 2020 - Elsevier
A thermodynamic model is used to analyse the adsorbed layers of C n DMPO (n= 12, 13), C
n TAB (n= 10, 12, 14, 16) and SDS at the aqueous solution/hexane and aqueous …
n TAB (n= 10, 12, 14, 16) and SDS at the aqueous solution/hexane and aqueous …
The Effect of Acyl Chain Position on the 2D Monolayer Formation of Monoacyl-sn-Glycerol at the Air/Water Interface: Quantum Chemical Modeling
ES Kartashynska - Condensed Matter, 2023 - mdpi.com
This paper deals with the results of quantum chemical modeling of the monoacyl-sn-glycerol
2D cluster formation at the air/water interface using a semi-empirical PM3 method. The …
2D cluster formation at the air/water interface using a semi-empirical PM3 method. The …
[HTML][HTML] Molecular area dependences of monolayers at the air/water interface
ES Kartashynska, D Vollhardt - JCIS Open, 2022 - Elsevier
The quantum chemical approach and a thermodynamic model for amphiphilic monolayers
are used to find the temperature dependence of the area per amphiphile molecule in a …
are used to find the temperature dependence of the area per amphiphile molecule in a …
Evaporation mitigation assessment by self-assembled nano-thickness films in shallow fresh water lake using fixed and semi-floating pans
Controlling evaporation plays an essential role in arid and semi-arid water resources
systems where it accounts for a considerable amount of reservoirs outflow. In this study, we …
systems where it accounts for a considerable amount of reservoirs outflow. In this study, we …
[BOOK][B] Computational methods for complex liquid-fluid interfaces
This book highlights key computational challenges involved in the two-way coupling of
complex liquid-fluid interfaces. Including pivotal applications as examples, the text defines …
complex liquid-fluid interfaces. Including pivotal applications as examples, the text defines …
Quantum chemical assessment of the molecular area corresponding to the onset of the LE–LC phase transition for amphiphilic 2D monolayers at the air/water …
ES Kartashynska, D Vollhardt - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
An approach for the assessment of the area per surfactant molecule in a monolayer at the
onset of the LE–LC phase transition (Ac) is proposed based on the quantum chemical …
onset of the LE–LC phase transition (Ac) is proposed based on the quantum chemical …
[HTML][HTML] Quantum chemical modeling of alkane 2D monolayer formation on graphene
ES Kartashynska - JCIS Open, 2024 - Elsevier
The paper presents a quantum chemical approach for assessment of the thermodynamic
parameters of association for alkanes C n H 2n+ 2 (n= 6–14) and polyaromatic …
parameters of association for alkanes C n H 2n+ 2 (n= 6–14) and polyaromatic …
Theoretical Description of Mixed Film Formation at the Air/Water Interface: Carboxylic Acids–Alcohols
ES Kartashynska, YB Vysotsky, D Vollhardt… - ACS …, 2018 - ACS Publications
The thermodynamic parameters of formation and clusterization of aliphatic alcohols C n H2
n+ 1OH and carboxylic acids C n H2 n+ 1COOH (n= 6–16) are calculated using the quantum …
n+ 1OH and carboxylic acids C n H2 n+ 1COOH (n= 6–16) are calculated using the quantum …