2015, Alberico, E., Nielsen, M.

The possibility to implement both the exhaustive dehydrogenation of aqueous methanol to hydrogen and CO2 and the reverse reaction, the hydrogenation of CO2 to methanol and water, may pave the way to a methanol based economy as part of a promising renewable energy system. Recently, homogeneous catalytic systems have been reported which are able to promote either one or the other of the two reactions under mild conditions. Here, we review and discuss these developments.

2022, Thiele, Gregor, Johanni, Theresa, Sommer, David, Krüger, Jörg

The operation of industrial supply technology is a broad field for optimization. Industrial cooling plants are often (a) composed of several components, (b) linked using network technology, (c) physically interconnected, and (d) complex regarding the effect of set-points and operating points in every entity. This leads to the possibility of overall optimization. An example containing a cooling tower, water circulations, and chillers entails a non-linear optimization problem with five dimensions. The decomposition of such a system allows the modeling of separate subsystems which can be structured according to the physical topology. An established method for energy performance indicators (EnPI) helps to formulate an optimization problem in a coherent way. The novel optimization algorithm OptTopo strives for efficient set-points by traversing a graph representation of the overall system. The advantages are (a) the ability to combine models of several types (e.g., neural networks and polynomials) and (b) an constant runtime independent from the number of operation points requested because new optimization needs just to be performed in case of plant model changes. An experimental implementation of the algorithm is validated using a simscape simulation. For a batch of five requests, OptTopo needs 61 (Formula presented.) while the solvers Cobyla, SDPEN, and COUENNE need 0.3 min, 1.4 min, and 3.1 min, respectively. OptTopo achieves an efficiency improvement similar to that of established solvers. This paper demonstrates the general feasibility of the concept and fortifies further improvements to reduce computing time.

2017, Li, L., Xu, D., Peng, H., Kurths, J., Yang, Y.

It is generally known that the states of network nodes are stable and have strong correlations in a linear network system. We find that without the control input, the method of compressed sensing can not succeed in reconstructing complex networks in which the states of nodes are generated through the linear network system. However, noise can drive the dynamics between nodes to break the stability of the system state. Therefore, a new method integrating QR decomposition and compressed sensing is proposed to solve the reconstruction problem of complex networks under the assistance of the input noise. The state matrix of the system is decomposed by QR decomposition. We construct the measurement matrix with the aid of Gaussian noise so that the sparse input matrix can be reconstructed by compressed sensing. We also discover that noise can build a bridge between the dynamics and the topological structure. Experiments are presented to show that the proposed method is more accurate and more efficient to reconstruct four model networks and six real networks by the comparisons between the proposed method and only compressed sensing. In addition, the proposed method can reconstruct not only the sparse complex networks, but also the dense complex networks.

2019, Samal, Mahalaxmi, Valligatla, Sreeramulu, Saad, Nabil A., Rao, M. Veeramohan, Rao, D. Narayana, Sahu, Rojalin, Biswal, Bishnu P.

Porphyrin-based porous organic frameworks are an important group of materials gaining interest due to their structural diversity and distinct opto-electronic properties. However, these materials are seldom explored for nonlinear optical (NLO) applications. In this work, we investigate a thiazolo[5,4-d]thiazole-bridged porous, porphyrin framework (Por-TzTz-POF) with promising NLO properties. The planar TzTz moiety coupled with integrated porphyrin units enables efficient π-conjugation and charge distribution in the Por-TzTz-POF resulting in a high nonlinear absorption coefficient (β = 1100 cm GW-1) with figure of merit (FoM) σ1/σ0 = 5571, in contrast to analogous molecules and material counterparts e.g. metal-organic frameworks (MOFs; β = ∼0.3-0.5 cm GW-1), molecular porphyrins (β = ∼100-400 cm GW-1), graphene (β = 900 cm GW-1), and covalent organic frameworks (Por-COF-HH; β = 1040 cm GW-1 and FoM = 3534). This journal is © The Royal Society of Chemistry.

2023, Marzban, Nader, Libra, Judy A., Rotter, Vera Susanne, Ro, Kyoung S., Moloeznik Paniagua, Daniela, Filonenko, Svitlana

Although many studies have investigated the hydrothermal transformation of feedstock biomass, little is known about the stability of the compounds present in the process liquid after the carbonization process is completed. The physicochemical characteristics of hydrothermal carbonization (HTC) liquid products may change over storage time, diminishing the amount of desired products or producing unwanted contaminants. These changes may restrict the use of HTC liquid products. Here, we investigate the effect of storage temperature (20, 4, and −18 °C) and time (weeks 1-12) on structural and compositional changes of selected organic compounds and physicochemical characteristics of the process liquid from the HTC of digested cow manure. ANOVA showed that the storage time has a significant effect on the concentrations of almost all of the selected organic compounds, except acetic acid. Considerable changes in the composition of the process liquid took place at all studied temperatures, including deep freezing at −18 °C. Prominent is the polymerization of aromatic compounds with the formation of precipitates, which settle over time. This, in turn, influences the inorganic compounds present in the liquid phase by chelating or selectively adsorbing them. The implications of these results on the further processing of the process liquid for various applications are discussed.

2023, Zhou, Xiaozhuang, Zheng, Yijun, Zhang, Haohui, Yang, Li, Cui, Yubo, Krishnan, Baiju P., Dong, Shihua, Aizenberg, Michael, Xiong, Xinhong, Hu, Yuhang, Aizenberg, Joanna, Cui, Jiaxi

Growth constitutes a powerful method to post-modulate materials’ structures and functions without compromising their mechanical performance for sustainable use, but the process is irreversible. To address this issue, we here report a growing-degrowing strategy that enables thermosetting materials to either absorb or release components for continuously changing their sizes, shapes, compositions, and a set of properties simultaneously. The strategy is based on the monomer-polymer equilibrium of networks in which supplying or removing small polymerizable components would drive the networks toward expansion or contraction. Using acid-catalyzed equilibration of siloxane as an example, we demonstrate that the size and mechanical properties of the resulting silicone materials can be significantly or finely tuned in both directions of growth and decomposition. The equilibration can be turned off to yield stable products or reactivated again. During the degrowing-growing circle, material structures are selectively varied either uniformly or heterogeneously, by the availability of fillers. Our strategy endows the materials with many appealing capabilities including environment adaptivity, self-healing, and switchability of surface morphologies, shapes, and optical properties. Since monomer-polymer equilibration exists in many polymers, we envision the expansion of the presented strategy to various systems for many applications.

2012, Horn, S.

In this work the three dimensional compressible moist atmospheric model ASAMgpu is presented. The calculations are done using graphics processing units (GPUs). To ensure platform independence OpenGL and GLSL are used, with that the model runs on any hardware supporting fragment shaders. The MPICH2 library enables interprocess communication allowing the usage of more than one GPU through domain decomposition. Time integration is done with an explicit three step Runge-Kutta scheme with a time-splitting algorithm for the acoustic waves. The results for four test cases are shown in this paper. A rising dry heat bubble, a cold bubble induced density flow, a rising moist heat bubble in a saturated environment, and a DYCOMS-II case.