Challenges in the Greener Production of Formates/Formic Acid, Methanol, and DME by Heterogeneously Catalyzed CO2 Hydrogenation Processes
A. Álvarez, Atul Bansode, A. Urakawa
et al.
The recent advances in the development of heterogeneous catalysts and processes for the direct hydrogenation of CO2 to formate/formic acid, methanol, and dimethyl ether are thoroughly reviewed, with special emphasis on thermodynamics and catalyst design considerations. After introducing the main motivation for the development of such processes, we first summarize the most important aspects of CO2 capture and green routes to produce H2. Once the scene in terms of feedstocks is introduced, we carefully summarize the state of the art in the development of heterogeneous catalysts for these important hydrogenation reactions. Finally, in an attempt to give an order of magnitude regarding CO2 valorization, we critically assess economical aspects of the production of methanol and DME and outline future research and development directions.
1223 sitasi
en
Chemistry, Medicine
Charged AdS black holes and catastrophic holography
A. Chamblin, R. Emparan, Clifford V. Johnson
et al.
We compute the properties of a class of charged black holes in anti--de Sitter space-time, in diverse dimensions. These black holes are solutions of consistent Einstein-Maxwell truncations of gauged supergravities, which are shown to arise from the inclusion of rotation in the transverse space. We uncover rich thermodynamic phase structures for these systems, which display classic critical phenomena, including structures isomorphic to the van der Waals--Maxwell liquid-gas system. In that case, the phases are controlled by the universal ``cusp'' and ``swallowtail'' shapes familiar from catastrophe theory. All of the thermodynamics is consistent with field theory interpretations via holography, where the dual field theories can sometimes be found on the world volumes of coincident rotating branes.
Entropy Generation Through Heat and Fluid Flow
A. Bejan, J. Kestin
2131 sitasi
en
Physics, Materials Science
Fast solvent screening via quantum chemistry: COSMO‐RS approach
F. Eckert, A. Klamt
The Hydrophobic Effect: Formation of Micelles and Biological Membranes
C. Tanford
Order out of Chaos: Man's New Dialogue with Nature
R. Rohwer
A modern course in statistical physics
L. Reichl
Nonlocal polar elastic continua
A.Cemal Eringen
Heat and Thermodynamics
M. W. Zemansky, Karl Menger
709 sitasi
en
Materials Science
Correction: Adsorptive removal of phenol from aqueous solution using natural clay with mechanistic interpretation from kinetics isotherms thermodynamics and pore diffusion modeling
Moses George Powei, Evelyn Mamerhi Effi, Chiedu Ngozi Owabor
Thermodynamics of materials with memory
B. Coleman
Recovery of the second law in fully quantum thermodynamics
Naoto Shiraishi, Ryuji Takagi
Quantum thermodynamics investigates how robust the second law of thermodynamics serves as the unique fundamental law in the small quantum world. To tackle this problem, the quantum coherence constitutes a major difficulty of investigations, which provides severe constraints hindering the recovery of a single thermodynamic potential. Here we solve this long-standing problem of quantum information theory by revealing that the state convertibility under thermal operations is fully characterized by the second law of thermodynamics. Specifically, we prove that whether a quantum state with quantum coherence is convertible to another by a thermal operation with a correlated catalyst is completely determined by the free energy ordering. Unlike previous attempts, our setting does not resort to any additional external coherent assist, providing a faithful operational characterization of thermodynamic state transformation.
en
quant-ph, cond-mat.stat-mech
A topological perspective on bulk boundary thermodynamic equivalence
Si-Jiang Yang, Shan-Ping Wu, Shao-Wen Wei
et al.
We establish an exact duality between the extended thermodynamics of five-dimensional charged Gauss-Bonnet AdS black holes and the thermodynamic framework of the dual boundary conformal field theory (CFT). The thermodynamics of the dual CFT involves two central charges originating from the trace anomaly. We demonstrate a precise correspondence between the extended first laws on the bulk and boundary sides. Moreover, the topological charges of the CFT thermodynamics, associated with the phase transition and critical point, coincide with those of the corresponding bulk black hole.
Revised Lie Group Analysis of the Time Fractional (2+1)-Dimensional Zakharov-Kuznetsov (<i>q</i>, <i>p</i>, <i>r</i>) Equation
Jian-Gen Liu, Yu-Feng Zhang, Jing-Qun Wang
This article presents a comprehensive study of the (2+1)-dimensional Zakharov–Kuznetsov (ZK) <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mo stretchy="false">(</mo><mi>q</mi><mo>,</mo><mi>p</mi><mo>,</mo><mi>r</mi><mo stretchy="false">)</mo></mrow></semantics></math></inline-formula> equation with time fractional derivativeUtilizing the fractional Lie group method, we derive several results, including the symmetries, similarity reductions and conservation laws for this equation. Our findings not only correct previous errors in the literature but also introduce new results, such as the Lie transformation group and optimal system for this model. The study provides a rigorous mathematical framework for analyzing this fundamental model, which describes nonlinear ion-acoustic wave evolution in magnetized plasmas.
Thermodynamics, Mathematics
Kinetic Description of Viral Capsid Self-Assembly Using Mesoscopic Non-Equilibrium Thermodynamics
Jason Peña, Leonardo Dagdug, David Reguera
The self-assembly mechanisms of various complex biological structures, including viral capsids and carboxysomes, have been theoretically studied through numerous kinetic models. However, most of these models focus on the equilibrium aspects of a simplified kinetic description in terms of a single reaction coordinate, typically the number of proteins in a growing aggregate, which is often insufficient to describe the size and shape of the resulting structure. In this article, we use mesoscopic non-equilibrium thermodynamics (MNET) to derive the equations governing the non-equilibrium kinetics of viral capsid formation. The resulting kinetic equation is a Fokker–Planck equation, which considers viral capsid self-assembly as a diffusive process in the space of the relevant reaction coordinates. We discuss in detail the case of the self-assembly of a spherical (icosahedral) capsid with a fixed radius, which corresponds to a single degree of freedom, and indicate how to extend this approach to the self-assembly of spherical capsids that exhibit radial fluctuations, as well as to tubular structures and systems with higher degrees of freedom. Finally, we indicate how these equations can be solved in terms of the equivalent Langevin equations and be used to determine the rate of formation and size distribution of closed capsids, opening the door to the better understanding and control of the self- assembly process.
Dynamic Analysis of a Fractional-Order SINPR Rumor Propagation Model with Emotional Mechanisms
Yuze Li, Ying Liu, Jianke Zhang
The inherent randomness and concealment of rumors in social networks exacerbate their spread, leading to significant societal instability. To explore the mechanisms of rumor propagation for more effective control and mitigation of harm, we propose a novel fractional-order Susceptible-Infected-Negative-Positive-Removed (SINPR) rumor propagation model, which simultaneously incorporates emotional mechanisms by distinguishing between positive and negative emotion spreaders, as well as memory effects through fractional-order derivatives. The proposed model extends traditional frameworks by jointly capturing the bidirectional influence of emotions and the anomalous, history-dependent dynamics often overlooked by integer-order models. First, we calculate the equilibrium points and thresholds of the model, and analyze the stability of the equilibrium, along with the sensitivity and transcritical bifurcation associated with the basic reproduction number. Next, we validate the theoretical results through numerical simulations and analyze the individual effects of fractional-order derivatives and emotional mechanisms. Finally, we predict the rumor propagation process using real datasets. Comparative experiments with other models demonstrate that the fractional-order SINPR model achieves R-squared values of 0.9712 and 0.9801 on two different real datasets, underscoring its effectiveness in predicting trends in rumor propagation.
Thermodynamics, Mathematics
The thermodynamics of frost damage to porous solids
D. H. Everett
Non-equilibrium Thermodynamics
I. Gyarmati
Real-Time Synchronisation of Multiple Fractional-Order Chaotic Systems: An Application Study in Secure Communication
Bachir Nail, Mahedi Abdelghani Atoussi, Slami Saadi
et al.
In this paper, we use two Fractional-Order Chaotic Systems (FOCS)—one for the sender and one for the receiver—to determine the optimal synchronisation for a secure communication technique. With the help of the Step-By-Step Sliding-Mode Observer (SBS-SMO), this synchronisation is accomplished. An innovative optimisation method, known as the artificial Harris hawks optimisation (HHO), was employed to enhance the observer’s performance. This method eliminates the random parameter selection process and instead selects the optimal values for the observer. In a short amount of time, the secret message that could have been in the receiver portion (signal, voice, etc.) was successfully recovered using the proposed scheme. The experimental validation of the numerical results was carried out with the assistance of an Arduino microcontroller and several electronic components. In addition, the findings of the experiments were compared with the theoretical calculations, revealing a satisfactory level of agreement.
Thermodynamics, Mathematics
Introduction to Statistical Thermodynamics
R G Siddali