Probing the thermal decomposition process of layered double hydroxides through in situ <Superscript>57</Superscript>Fe Mössbauer and in situ X-ray diffraction experiments

The thermal decomposition properties of Mg–Fe hydrotalcites were studied through in situ ⁵⁷Fe Mössbauer spectroscopy and in situ X-ray diffraction. Abrupt changes in the quadrupolar splitting measured in the Mössbauer spectra revealed a phase transition from the starting lamellar structure to a new crystalline arrangement. By analyzing the Mössbauer parameters we show that the material is highly disordered in the 300–400 °C temperature range. This hypothesis is confirmed by the X-ray results whose diffractograms indicated the collapse of the lamellar structure and the formation of a solid solution.     

Preparation and characterization of new niobophosphate glasses in the Li2O-Nb2O5-CaO-P2O5 system

In the present work we describe the synthesis, spectroscopy, thermal and chemical durability properties of the vitreous system Li₂O-Nb₂O₅-CaO-P₂O₅ (LNCP). Investigations of the short-range order by Fourier transform infrared, Raman, UV-VIS and ³¹P MAS-NMR spectroscopies suggest that the network former glass consists of Nb octahedra linked to pyro/orthophosphate units through Nb—O—P bonds. The presence of modifier cations (Li⁺ and Ca²⁺) promotes depolymerization of the P—O—P chains, yielding pyro/orthophosphate units. The presence of this kind of structure accounts for the improvement of the chemical durability at low pH when the Nb content in the LNCP glass composition is high. The density and linear refractive indices of LNCP glasses increased linearly as the Nb₂O₅/P₂O₅ molar ratio increased, as a consequence of P₂O₅ substitution by Nb₂O₅ as the glassformer. The dependence of the glass transition temperature, the softening temperature and the crystallization temperature on the Nb₂O₅/P₂O₅ ratio exhibits the same behavior. On the other hand, the thermal expansion coefficient decreases with the increased Nb₂O₅/P₂O₅ ratio.     

Optimal control with constrained total variance for Markov jump linear systems with multiplicative noises

We consider in this paper the stochastic optimal control problem of discrete-time linear systems subject to Markov jumps and multiplicative noises (MJLS-mn for short). Our objective is to present an optimal policy for the problem of maximising the system's total expected output over a finite-time horizon while restricting the weighted sum of its variance to a pre-specified upper-bound value. We obtain explicit conditions for the existence of an optimal control law for this problem as well as an algorithm for obtaining it, extending previous results in the literature. The paper is concluded by applying our results to a portfolio selection problem subject to regime switching.     

Geopolymers based on a coarse low-purity kaolin mineral: Mechanical strength as a function of the chemical composition and temperature

A coarse mineral with 70% kaolinite and 30% quartz was calcined and chemically activated by alkaline solutions of Na₂SiO₃ and NaOH. The compressive strength evolution was investigated as a function of the curing temperature at 20 and 80 °C, and the molar ratios of SiO₂/Al₂O₃ (2.64-4.04) and Na₂O/Al₂O₃ (0.62-1.54). For curing at 20 °C, the best composition was SiO₂/Al₂O₃ = 2.96 and NaO/Al₂O₃ = 0.62, reaching 85 MPa at 28 days. Curing at 80 °C had a positive effect on the strength development only in the first 3 days. X-ray diffraction of the geopolymeric formulations showed the formation of amorphous silicoaluminates of similar nature. The microstructure consisted of unreacted quartz and metakaolinite particles in a matrix of silicoaluminate polymer and condensed silica gel from the unreacted sodium silicate.     

SIMULATING STRUCTURAL CHANGE IN ADAPTIVE ORGANIZATIONS

This paper presents an agent-based model of an organization. The model is made of a social network—composed of the different organization workers—and a knowledge network. Workers are assigned tasks, for which they have to use information in the knowledge network. We have modeled the quality of the information by assigning each information item a probability of being wrong. Agents can interact with other agents, who can recommend to them new information items in the knowledge network for the task to be performed. Workers are assigned different information-seeking behavior (passive, active, and learning), governing the way in which they interact with each other. Moreover, indirect interaction is also possible, as a publicly accessible knowledge base contains each agent's preferred information items.

The model was implemented in SDML, and its simulation shows that agents quickly learn to discern the better information items for the given task. However, group formation (agents' collaborating by exchanging information) takes longer to stabilize. Additionally, when the quality of items is changed, agents can quickly select the better new knowledge items, and organization performance improves again to a maximum that is only randomly disturbed.     

Porous shell/dense core structures prepared in tungsten phosphate glass through template-free route

The preparation of the 11.7Li₂O–39.7WO₃–10.9CaO–37.7P₂O₅ glass (pgLWCP) was based on a one-step heat treatment of the 6Li₂O–18WO₃–43CaO–33P₂O₅ (gLWCP) glass followed by leaching of the β-Ca₂P₂O₇ phase formed during the crystallization process. The porous structure was formed in the region formerly occupied by the β-Ca₂P₂O₇ phase. The gLWCP undergoes devitrification through surface crystallization. This process occurs after a thermal treatment in lower temperature and in a shorter period of time than that required for the complete crystallization. After acid leaching treatment, we obtained a core-/shell-like structure with a very well-defined dense glass (gLWCP)/porous glass (pgLWCP) interface. The pgLWCP exhibits reversible coloration–decoloration reactions.     

Improved fallow: growth and nitrogen accumulation of five native tree species in Brazil

Nitrogen (N) is the most important yield-limiting factor in agricultural systems, however, N application can lead to emissions and environmental problems such as global warming (N₂O) and groundwater contamination (NO₃ ^?). This study analyses the N balance, nitrogen-use efficiency, and N loss potential of conventional farming systems (arable farming, improved arable farming, and agroforestry) and organic farming systems (mixed farming, arable farming, and agroforestry) based on long-term field experiments in southern Germany. The effects of the conversion of farm structure and N management are identified. The conventional farming systems in this study were high N-input and high N-output systems. The conventional arable farming system had the lowest nitrogen-use efficiency and the highest N surplus. An optimised N management and the use of high-yielding crop varieties improved its nitrogen-use efficiency. The establishment of conventional agroforestry resulted in the reduction of N input, N output and N surplus, while maintaining high yields. The organic mixed farming system is characterised by a relatively high N input and N output, the accumulation of soil organic nitrogen, the highest nitrogen-use efficiency, and the lowest N surplus of all analysed systems. These good results can be attributed to the intensive farm N cycle between soil–plant–animal. The shift from organic mixed farming to organic arable farming system extensified the N cycle, reduced N input, crop yield and N output. The change from organic arable farming to organic agroforestry reduced the N input, increased the biomass yield, and remained the N surplus within an optimal range.     

Optimal control and the Pontryagin's principle in chemical engineering: History,theory, and challenges

In the mid-1950s, Pontryagin et al. published a principle that became a fundamental concept in optimal control (OC) theory. The principle provides theoretical and practical methods to find the solution of OC problems, in particular, open-loop control problems. In chemical engineering, the principle has played an important role as a decision making framework for more than 60 years. This study gathers the main contributions on the application of the Pontryagin's principle to the dynamic optimization of chemical processes. A concise overview of the optimality conditions for a wide class of constrained OC problems is provided. Numerical methods to solve the necessary conditions and strategies to address inequality constraints are summarized. The information and illustrative case study presented in this work can be used as a guide to implement the principle in different settings. Opportunities for further application of the principle in relevant chemical engineering problems are also discussed.     

A nested online scheduling and nonlinear model predictive control framework for multi-product continuous systems

In the pursuit of integrated scheduling and control frameworks for chemical processes, it is important to develop accurate integrated models and computational strategies such that optimal decisions can be made in a dynamic environment. In this study, a recently developed switched system formulation that integrates scheduling and control decisions is extended to closed-loop operation embedded with nonlinear model predictive control (NMPC). The resulting framework is a nested online scheduling and control loop that allows to obtain fast and accurate solutions as no model reduction is needed and no integer variables are involved in the formulations. In the outer loop, the integrated model is solved to calculate an optimal product switching sequence such that the process economics is optimized, whereas in the inner loop, an NMPC implements the scheduling decisions. The proposed scheme was tested on two multi-product continuous systems. Unexpected large disturbances and rush orders were handled effectively.     

Seeing is believing? When scanning electron microscopy (SEM) meets clinical dentistry: The replica technique.

In restorative dentistry, the in situ replication of intra‐oral situations, is based on a non‐invasive and non‐destructive scanning electron microscopy (SEM) evaluation method. The technique is suitable for investigation restorative materials and dental hard‐ and soft‐tissues, and its interfaces. Surface characteristics, integrity of interfaces (margins), or fracture analysis (chipping, cracks, etc.) with reliable resolution and under high magnification (from ×50 to ×5,000). Overall the current study aims to share detailed and reproducible information about the replica technique. Specific goals are: (a) to describe detailed each step involved in producing a replica of an intra‐oral situation, (b) to validate an integrated workflow based on a rational sequence from visual examination, to macrophotography and SEM analysis using the replica technique; (c) to present three clinical cases documented using the technique. A compilation of three clinical situations/cases were analyzed here by means the replica technique showing a wide range of possibilities that can be reached and explored with the described technique. This guidance document will contribute to a more accurate use of the replica technique and help researchers and clinicians to understand and identify issues related to restorative procedures under high magnification.