Understanding the Role of Protic Ionic Liquids (PILs) in Reactive Systems: Rational Selection of PILs for the Design of Green Synthesis Strategies for Allylic Amines and β-Amino Esters.
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DOI: 10.1002/cplu.201900318
Abstract: The reactive behaviour of protic ionic liquids (PILs) has been shown to be governed not only by their chemical structures but also by their global compositions, which include the presence of free acids and bases… read more here.
Keywords: protic ionic; reactive systems; amines amino; allylic amines ... See more keywords
Temporal Reversibility of Reactive Systems Out of Equilibrium: Molecular Dynamics Simulation
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DOI: 10.1007/s10773-025-05980-0
Abstract: The second law of thermodynamics states that entropy production in macroscopic systems is non-negative, reaching zero only at thermodynamic equilibrium. As a corollary, this implies that the state trajectory of macroscopic systems is inherently time-irreversible… read more here.
Keywords: systems equilibrium; temporal reversibility; reactive systems; reversibility reactive ... See more keywords
Qualitatively and quantitatively predicting the front velocity in binary reactive systems
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DOI: 10.1063/5.0207017
Abstract: Reactive multilayer systems, due to their fast and highly localized heat release, are widely applied in various technologies. To tailor their properties to specific applications, there is still a lot of ongoing research on the… read more here.
Keywords: qualitatively quantitatively; binary reactive; reactive systems; front velocity ... See more keywords
Validity of path thermodynamic description of reactive systems: Microscopic simulations.
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DOI: 10.1103/physreve.107.014106
Abstract: Traditional stochastic modeling of reactive systems limits the domain of applicability of the associated path thermodynamics to systems involving a single elementary reaction at the origin of each observed change in composition. An alternative stochastic… read more here.
Keywords: stochastic modeling; validity path; thermodynamic description; path thermodynamic ... See more keywords
Collisional excitation in reactive systems: recent advances in modeling molecular processes for astrochemistry
Sign Up to like & getrecommendations! Published in 2025 at "Frontiers in Astronomy and Space Sciences"
DOI: 10.3389/fspas.2025.1710248
Abstract: Collisional excitation in reactive systems plays a central role in astrochemistry. Accurate state-to-state rate coefficients are key parameter for the determination of excitation conditions of interstellar molecules with the most abundant species in space (H,… read more here.
Keywords: state state; collisional excitation; reactive systems; excitation ... See more keywords