Results 91 to 100 of about 30,083 (262)

Un método para enseñar el porqué suceden las reacciones químicas

Química Nova, 2013
A methodology is proposed for explaining one of the central questions in the teaching of general chemistry courses to freshman students: why do chemical transformations occur? The answer to this question is based on thermodynamics but we propose arriving
Victor A. López-Agudelo, Daniel Barragán, Wilson Parra   +2 more
doaj   +1 more source

Mechanistic Control of C─H Bond Activation and C─C Coupling in Light‐Driven Methane Conversion to C2+ Products over Multifunctional Photocatalysts

Advanced Functional Materials, EarlyView.
Methane photocatalytic activation under mild conditions remains a formidable challenge in the synthesis of solar fuels. In this review, we emphasize the growing importance of multifunctional materials and hybrid systems within a unified mechanistic framework that integrates selective C─H bond activation, formation and control of intermediates, C─C ...
Di Hu, Yuheng Jiang, Vitaly V. Ordomsky, Bastian Mei, Zhiyong Tang, Andrei Y. Khodakov   +5 more
wiley   +1 more source

A review of computational tools for design and reconstruction of metabolic pathways

Synthetic and Systems Biotechnology, 2017
Metabolic pathways reflect an organism's chemical repertoire and hence their elucidation and design have been a primary goal in metabolic engineering. Various computational methods have been developed to design novel metabolic pathways while taking into ...
Lin Wang, Satyakam Dash, Chiam Yu Ng, Costas D. Maranas   +3 more
doaj   +1 more source

Computational Thermodynamics

, 2021
Diese Arbeit befasst sich mit theoretischen Konzepten der phänomenologischen und statistischen Thermodynamik und deren numerischer Umsetzung. Das Hauptziel dieser Arbeit ist es, Arbeitsabläufe für die akurate Beschreibung von thermodynamischen Eigenschaften von Molekülen und Festkörpern zur Verfügung zu stellen. Der während dieser Arbeit entwickelte Cp
openaire   +1 more source

Chemically Fueled Systems Chemistry Across Length Scales

Advanced Functional Materials, EarlyView.
Chemically fueled reaction cycles regulate processes through single and multiple catalytic sites on the molecular and assembly scale. This gives rise to unique kinetically controlled properties/functions like spatio‐temporal catalysis, oscillations, optical properties, and perform work.
Brigitte A. K. Kriebisch, Job Boekhoven
wiley   +1 more source

A Thermodynamic Model of Antiferroelectics and Its Application to Electric Field Induced Antiferroelectric‐Ferroelectric Transition in PbZrO3

Advanced Functional Materials, EarlyView.
A thermodynamic model that incorporates ferroelectric, antiferroelectric, and antiferrodistortive orders of PbZrO3${\rm PbZrO}_3$ is established and parameterized based on experimental measurements and first‐principles calculations. We derive a Clapeyron‐like equation for describing the temperature‐dependence of critical electric fields for the ...
Zhiyang Wang, Guodong Zhao, Aiden Ross, Long‐Qing Chen   +3 more
wiley   +1 more source

Acid Site Design for Low Hydration Proton Exchange Membranes

Advanced Functional Materials, EarlyView.
α‐CF2 substitution adjacent to sulfonic acid increases acid strength and enables efficient proton transport under low hydration conditions. This molecular design reduces the dependence of hydrocarbon proton exchange membranes on excessive water uptake, addressing a key limitation of conventional hydrocarbon PEMs while maintaining favorable conductivity
Ajay Kumar, Lorena Alzate‐Vargas, Mayra Rodriguez‐Pena, Douglas I. Kushner, Marina Pacheco, Panagiotis Bexis, Ahmet Kusoglu, Siddharth Komini Babu, Edward F. Holby, Jacob S. Spendelow, Eun Joo S. Park   +10 more
wiley   +1 more source

Quantum Thermodynamics: An Introduction to the Thermodynamics of Quantum Computers [PDF]

Proceedings of 5th International Electronic Conference on Entropy and Its Applications, 2019
We are the verge of a technological revolution. Over the last couple of years the first computational devices have become commercially available that promise to exploit so-called quantum supremacy. Even though the thermodynamic cost for processing classical information has been known since the 1960s, the thermodynamic description of quantum computers ...
openaire   +1 more source

Increasing Inter‐Micellar Connectivity Toughens and Imparts Cooling‐Induced Shape Memory in Micellar Hydrogels

Advanced Functional Materials, EarlyView.
Oligomerizing Pluronic triblock copolymers provides a processing strategy for tuning the mechanical properties and stimuli‐responsive behaviors of micellar hydrogels. Varying oligomer fraction produces hydrogels spanning brittle to highly extensible responses; maintaining micellar architectures enables cooling‐induced reverse thermal shape memory and ...
Gourav Kumbhojkar, Eric Yang, Arman Moussavi, EunBi Oh, Haeji Kim, Wei Chen, Junsoo Kim, Sinan Keten, Ryan L. Truby   +8 more
wiley   +1 more source

Functionalizing Micro‐to‐Mesoscopic Electrode Architectures for Regulating Electron Transfer Behaviors in Electrocatalysis

Advanced Functional Materials, EarlyView.
A systematic review is conducted to assess the influence of electrode architecture across micro‐ to mesoscopic length scales on electron‐transfer pathways in electrocatalysis. We discuss the structure‐activity relationships in electrocatalytic applications, including resource recovery and environmental remediation, and provide cost‐effective, efficient
Manshu Zhao, Jiaojiao Zhang, Shideng Yuan, Xinmeng Yu, Keming Wan, Xiaoguang Duan, Zhining Wang   +6 more
wiley   +1 more source