Reaction mechanisms of aqueous monoethanolamine with carbon dioxide: a combined quantum chemical and molecular dynamics study

2015 ◽  
Vol 17 (2) ◽  
pp. 831-839 ◽  
Author(s):  
Gyeong S. Hwang ◽  
Haley M. Stowe ◽  
Eunsu Paek ◽  
Dhivya Manogaran
Keyword(s):  
Carbon Dioxide ◽  
Molecular Dynamics ◽  
Reaction Mechanisms ◽  
Quantum Chemical ◽  
Critical Role ◽  
Regeneration Processes

This study highlights the critical role of H2O molecules, particularly their availability and arrangement around zwitterionic intermediates, in the progression of competing CO2 capture and MEA regeneration processes.

Critical role of surficial activity in the sintering process of TiO2 nanoparticles by molecular dynamics simulation

2021 ◽  
pp. 117071
Author(s):  
Haozhen Yang ◽  
Benyao Sun ◽  
Yunfan Zhu ◽  
Deqiang Yin ◽  
Jianyao Yao
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Tio2 Nanoparticles ◽  
Critical Role ◽  
Dynamics Simulation ◽  
Sintering Process

Toward Small-Diameter Carbon Nanotubes Synthesized from Captured Carbon Dioxide: Critical Role of Catalyst Coarsening

2018 ◽  
Vol 10 (22) ◽  
pp. 19010-19018 ◽  
Author(s):  
Anna Douglas ◽  
Rachel Carter ◽  
Mengya Li ◽  
Cary L. Pint
Keyword(s):  
Carbon Dioxide ◽  
Carbon Nanotubes ◽  
Critical Role ◽  
Small Diameter

Carbon dioxide emissions in OECD service sectors: the critical role of electricity use

Energy Policy ◽  
1998 ◽  
Vol 26 (15) ◽  
pp. 1137-1152 ◽  
Author(s):  
Tom Krackeler ◽  
Lee Schipper ◽  
Osman Sezgen
Keyword(s):  
Carbon Dioxide ◽  
Carbon Dioxide Emissions ◽  
Critical Role ◽  
Electricity Use ◽  
Service Sectors

Molecular Dynamics Study of the Role of Water in the Carbon Dioxide Intercalation in Chloride Ions Bearing Hydrotalcite

2018 ◽  
Vol 122 (17) ◽  
pp. 9507-9514 ◽  
Author(s):  
Zeinab Naderi Khorshidi ◽  
Mohammad Khalkhali ◽  
Hao Zhang ◽  
Phillip Choi
Keyword(s):  
Carbon Dioxide ◽  
Molecular Dynamics ◽  
Chloride Ions

Carbon dioxide induced bubble formation in a CH4–CO2–H2O ternary system: a molecular dynamics simulation study

2016 ◽  
Vol 18 (5) ◽  
pp. 3746-3754 ◽  
Author(s):  
K. S. Sujith ◽  
C. N. Ramachandran
Keyword(s):  
Carbon Dioxide ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ternary System ◽  
Simulation Study ◽  
Bubble Formation ◽  
Dynamics Simulation ◽  
System A ◽  
Dynamics Simulations

The role of carbon dioxide in the formation of gas bubbles in a CH4–CO2–H2O ternary system is studied using molecular dynamics simulations.

Diffusion and interactions of carbon dioxide and oxygen in the vicinity of the active site of Rubisco: Molecular dynamics and quantum chemical studies

2012 ◽  
Vol 137 (14) ◽  
pp. 145103 ◽  
Author(s):  
Morad M. El-Hendawy ◽  
José-Antonio Garate ◽  
Niall J. English ◽  
Stephen O’Reilly ◽  
Damian A. Mooney
Keyword(s):  
Carbon Dioxide ◽  
Molecular Dynamics ◽  
Active Site ◽  
Quantum Chemical ◽  
Chemical Studies ◽  
Quantum Chemical Studies

scholarly journals Cerebrovascular response to the cold pressor test - the critical role of carbon dioxide

2017 ◽  
Vol 102 (12) ◽  
pp. 1647-1660 ◽  
Author(s):  
Michael M. Tymko ◽  
Thijs P. Kerstens ◽  
Kevin W. Wildfong ◽  
Philip N. Ainslie
Keyword(s):  
Carbon Dioxide ◽  
Critical Role ◽  
Cold Pressor Test ◽  
Cold Pressor ◽  
Pressor Test
Sign in / Sign up

Export Citation Format

Share Document