scholarly journals Oxidation of Substituted Catechols at the Air–Water Interface: Production of Carboxylic Acids, Quinones, and Polyphenols

2017 ◽  
Vol 51 (9) ◽  
pp. 4951-4959 ◽  
Author(s):  
Elizabeth A. Pillar ◽  
Marcelo I. Guzman
Keyword(s):  
Carboxylic Acids ◽  
Water Interface ◽  
Air Water Interface

Quantum Chemical Analysis of the Thermodynamics of 2D Cluster Formation ofn-Carboxylic Acids at the Air/Water Interface

2006 ◽  
Vol 110 (10) ◽  
pp. 4717-4730 ◽  
Author(s):  
Yu. B. Vysotsky ◽  
D. V. Muratov ◽  
F. L. Boldyreva ◽  
V. B. Fainerman ◽  
D. Vollhardt ◽  
...  
Keyword(s):  
Chemical Analysis ◽  
Carboxylic Acids ◽  
Quantum Chemical ◽  
Cluster Formation ◽  
Water Interface ◽  
Quantum Chemical Analysis ◽  
Air Water Interface

Dissociation constants of aromatic carboxylic acids spread at the air/water interface

2000 ◽  
Vol 360 (1-2) ◽  
pp. 261-267 ◽  
Author(s):  
Patrycja Dynarowicz-Latka ◽  
Ailton Cavalli ◽  
Osvaldo N. Oliveira
Keyword(s):  
Carboxylic Acids ◽  
Dissociation Constants ◽  
Water Interface ◽  
Aromatic Carboxylic Acids ◽  
Air Water Interface

scholarly journals Theoretical Description of Mixed Film Formation at the Air/Water Interface: Carboxylic Acids–Fatty Amines

2019 ◽  
Vol 124 (2) ◽  
pp. 1544-1553
Author(s):  
Elena S. Kartashynska ◽  
Yuri B. Vysotsky ◽  
Dieter Vollhardt ◽  
Valentin B. Fainerman ◽  
Anatoly Yu. Zakharov
Keyword(s):  
Carboxylic Acids ◽  
Film Formation ◽  
Theoretical Description ◽  
Water Interface ◽  
Fatty Amines ◽  
Air Water Interface ◽  
Mixed Film

scholarly journals Theoretical Description of Mixed Film Formation at the Air/Water Interface: Carboxylic Acids–Alcohols

ACS Omega ◽  
2018 ◽  
Vol 3 (12) ◽  
pp. 16693-16705 ◽  
Author(s):  
Elena S. Kartashynska ◽  
Yuri B. Vysotsky ◽  
Dieter Vollhardt ◽  
Valentin B. Fainerman ◽  
Anatoly Yu. Zakharov
Keyword(s):  
Carboxylic Acids ◽  
Film Formation ◽  
Theoretical Description ◽  
Water Interface ◽  
Air Water Interface ◽  
Mixed Film

Behavior of partially fluorinated carboxylic acids at the air–water interface

2001 ◽  
Vol 107 (1) ◽  
pp. 141-146 ◽  
Author(s):  
Hans-Joachim Lehmler ◽  
Moses O Oyewumi ◽  
Michael Jay ◽  
Paul M Bummer
Keyword(s):  
Carboxylic Acids ◽  
Water Interface ◽  
Air Water Interface

scholarly journals Properties of amphiphilic terminally substituted conjugated nonaene- and 2-docosylnonaene carboxylic acids in monolayers at the air-water interface

1991 ◽  
Vol 3 (11) ◽  
pp. 555-558 ◽  
Author(s):  
Franz Effenberger ◽  
Paul Meller ◽  
Helmut Ringsdorf ◽  
Hubert Schlosser
Keyword(s):  
Carboxylic Acids ◽  
Water Interface ◽  
Air Water Interface

scholarly journals PK CHANGE OF SATURATED CARBOXYLIC ACIDS AND AMINES DURING THEIR DIMERIZATION AT THE AIR/WATER INTERFACE. QUANTUM-CHEMICAL APPROACH

2020 ◽  
pp. 370-383
Author(s):  
Юрий Борисович Высоцкий ◽  
Елена Сергеевна Карташинская
Keyword(s):  
Carboxylic Acids ◽  
Quantum Chemical ◽  
Water Interface ◽  
Gas Phases ◽  
Screening Model ◽  
Gibbs Energies ◽  
Quantum Chemical Methods ◽  
Air Water Interface ◽  
Quantum Chemical Approach ◽  
Semi Empirical

Предложен теоретический подход к оценке pK димеров насыщенных карбоновых кислот CHCOOH и аминов CHNH (n = 6-16) на межфазной поверхности вода/воздух. Модель основана на расчете лишь энергий Гиббса образования и ассоциации димеров ПАВ в нейтральной и ионизированной форме в водной и газовой фазах. Расчеты проведены с использованием полуэмпирического квантово-химического метода РМ3 и РМ6 в рамках модели экранирования проводникового типа COSMO. Показано, что наиболее энергетически выгодным является образование димеров с одной ионизированной и одной нейтральной молекулой ПАВ. Установлено, что величина поверхностного pK для димеров ПАВ зависит от их длины цепи ПАВ. A theoretical approach to the pK assessment for dimers of saturated carboxylic acids CHCOOH (n = 6 -16) and amines CHNH (n = 6-16) at the air/water interface is proposed. The model is based on calculation of the formation and dimerization Gibbs energies of the surfactants in neutral and ionized form in the water and gas phases. The calculations are done using semi-empirical quantum-chemical methods РМ3 and РМ6 within the framework of the conductor-like screening model (COSMO). It is shown that the dimer formation with one ionized and one neutral surfactant molecules is the most energetically favorable. The surface pK value for surfactant dimers is found to depend on their surfactant chain length.

scholarly journals Surface pKa of Saturated Carboxylic Acids at the Air/Water Interface: A Quantum Chemical Approach

2020 ◽  
Vol 124 (25) ◽  
pp. 13809-13818
Author(s):  
Yuri B. Vysotsky ◽  
Elena S. Kartashynska ◽  
Dieter Vollhardt ◽  
Valentin B. Fainerman
Keyword(s):  
Carboxylic Acids ◽  
Quantum Chemical ◽  
Water Interface ◽  
Chemical Approach ◽  
Air Water Interface ◽  
Quantum Chemical Approach
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