scholarly journals Heterogeneous Catalysts in Grammar School

2021 ◽  
Author(s):  
Johannes T. Margraf ◽  
Zachary W. Ulissi ◽  
Yousung Jung ◽  
Karsten Reuter
Keyword(s):  
Heterogeneous Catalysts ◽  
Chemical Space ◽  
Renewable Energy Sources ◽  
Synthetic Fuels ◽  
Research Directions ◽  
Diverse Range ◽  
New Approach ◽  
Daunting Task ◽  
Commodity Chemicals ◽  
Catalytically Active

The discovery of new catalytically active materi- als is one of the holy grails of computational chemistry as it has the potential to accelerate the adoption of renewable energy sources and reduce the energy consumption of chemical industry. Indeed, heterogeneous catalysts are essential for the production of synthetic fuels and many commodity chemicals. Consequently, novel catalysts with higher activity and selectivity, increased sustainability and longevity, or improved prospects for rejuvenation and cyclability are needed for a diverse range of processes. Unfortunately, computational catalyst discovery is a daunting task, among other reasons because it is often unclear whether a proposed material is stable or synthesizable. This perspective proposes a new approach to this challenge, namely the use of generative grammars. We outline how grammars can guide the search for stable catalysts in a large chemical space and sketch out several research directions that would make this technology applicable to real materials.

Technology Politics, An Analytical Unit

1982 ◽  
Vol 32 ◽  
pp. 17-17
Author(s):  
Stephen R. Lefevre
Keyword(s):  
Building Materials ◽  
Space Shuttle ◽  
Renewable Energy Sources ◽  
Transportation Systems ◽  
Synthetic Fuels ◽  
Public And Private ◽  
Policy System ◽  
Home Building ◽  
Automobile Engines ◽  
Civilian Defense

Political scientists are increasingly interested in understanding policymaking in civilian, defense and space technologies. The answer to the question why this is, is found partly in the emergence of the policy field itself, and partly in the enormously expanded role that government stimulus of technological innovation is playing in the public and private sectors. A listing of some recent programs — breeder and fusion reactor R&D, the space shuttle, windmill farm demonstration programs, synthetic fuels programs, and dial-a-ride transportation systems — gives some indication of the scope of federal involvement, and points up some of the implications that this enlarged role has for the student of public policy. Why, for instance, has government elected to stimulate innovations in certain technologies and not others? Who are the key actors shaping the policymaking process in R&D? Are their gaps in federal efforts? Is the policy system responding effectively to needs for renewable energy sources, alternative home building materials, gasoline-efficient automobile engines, etc?

scholarly journals Exploiting the Potential of Biosilica from Rice Husk as Porous Support for Catalytically Active Iron Oxide Nanoparticles

Nanomaterials ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 1259
Author(s):  
Ana Franco ◽  
Rafael Luque ◽  
Carolina Carrillo-Carrión
Keyword(s):  
Iron Oxide ◽  
Iron Oxide Nanoparticles ◽  
Rice Husk ◽  
Heterogeneous Catalysts ◽  
Catalytic Performance ◽  
Added Value ◽  
Oxide Nanoparticles ◽  
Porous Support ◽  
Green Materials ◽  
Catalytically Active

Biomass-derived materials are put forward as eco-friendly alternatives to design heterogeneous catalysts. To contribute in this field, we explored the potential of mesoporous biogenic silica (RH-Silica) obtained from lignocellulosic waste, in particular from rice husk, as an inorganic support to prepare heterogenized iron oxide-based catalysts. Mechanochemistry, considered as a green and sustainable technique, was employed to synthetize iron oxide nanoparticles in pure hematite phase onto the biosilica (α-Fe2O3/RH-Silica), making this material a good candidate to perform catalyzed organic reactions. The obtained material was characterized by different techniques, and its catalytic activity was tested in the selective oxidation of styrene under microwave irradiation. α-Fe2O3/RH-Silica displayed a good catalytic performance, achieving a conversion of 45% under optimized conditions, and more importantly, with a total selectivity to benzaldehyde. Furthermore, a good reusability was achieved without decreasing its activity after multiple catalytic cycles. This work represents a good example of using sustainable approaches and green materials as alternatives to conventional methods in the production of high-added value products.

scholarly journals Facing disruptive technologies: aligning purchasing maturity to contingencies

2019 ◽  
Vol 24 (1) ◽  
pp. 147-169 ◽  
Author(s):  
Britta Søgaard ◽  
Heather Dawn Skipworth ◽  
Michael Bourlakis ◽  
Carlos Mena ◽  
Richard Wilding
Keyword(s):  
Strategic Alignment ◽  
Future Research ◽  
Research Directions ◽  
Company Strategy ◽  
New Approach ◽  
Content Type ◽  
Disruptive Technologies ◽  
Future Research Directions ◽  
Exploratory Case Studies ◽  
Selection Of

PurposeThis paper aims to explore how purchasing could respond to disruptive technologies by examining the assumptions underlying purchasing strategic alignment and purchasing maturity through a contingency lens.Design/methodology/approachThis study uses a systematic review across purchasing maturity and purchasing strategic alignment literature. This is supplemented with exploratory case studies to include practitioners’ views.FindingsThis research demonstrates that neither purchasing maturity nor purchasing strategic alignment are suitable approaches to respond to disruptive technologies. Purchasing maturity does not allow purchasing managers to select relevant practices. It also shows no consideration of any contingencies, which practitioners highlight as important for the selection of practices. Purchasing strategic alignment includes the company strategy as a contingency but does not provide any practices to choose from. It does not include any other contextual contingencies considered important by practitioners. The findings indicate that linking the two research streams may provide a more suitable approach to responding to disruptive technologies.Research limitations/implicationsThis research demonstrates the requirement to develop a new approach to responding to disruptive technologies, by linking purchasing maturity and purchasing strategic alignment to contextual contingencies. This is a currently unexplored approach in academic literature, which refutes the generally accepted premise that higher maturity unilaterally supports a better positioning towards technological disruption. This research also highlights a requirement for practitioners to shift their approach to “best practices”.Originality/valueThis is the first research to systematically review the relationships between purchasing maturity and purchasing strategic alignment. It adds to contingency theory by suggesting that purchasing maturity models can support the achievement of strategic alignment. Also, future research directions are suggested to explore these relationships.

scholarly journals Near-IR squaraine dye–loaded gated periodic mesoporous organosilica for photo-oxidation of phenol in a continuous-flow device

2015 ◽  
Vol 1 (8) ◽  
pp. e1500390 ◽  
Author(s):  
Parijat Borah ◽  
Sivaramapanicker Sreejith ◽  
Palapuravan Anees ◽  
Nishanth Venugopal Menon ◽  
Yuejun Kang ◽  
...  
Keyword(s):  
Continuous Flow ◽  
Heterogeneous Catalysts ◽  
Near Infrared ◽  
Periodic Mesoporous Organosilica ◽  
Photo Oxidation ◽  
Mesoporous Organosilica ◽  
Squaraine Dye ◽  
Flow Device ◽  
Catalytically Active ◽  
Oxidation Of Phenol

Periodic mesoporous organosilica (PMO) has been widely used for the fabrication of a variety of catalytically active materials. We report the preparation of novel photo-responsive PMO with azobenzene-gated pores. Upon activation, the azobenzene gate undergoes trans-cis isomerization, which allows an unsymmetrical near-infrared squaraine dye (Sq) to enter into the pores. The gate closure by cis-trans isomerization of the azobenzene unit leads to the safe loading of the monomeric dye inside the pores. The dye-loaded and azobenzene-gated PMO (Sq-azo@PMO) exhibits excellent generation of reactive oxygen species upon excitation at 664 nm, which can be effectively used for the oxidation of phenol into benzoquinone in aqueous solution. Furthermore, Sq-azo@PMO as the catalyst was placed inside a custom-built, continuous-flow device to carry out the photo-oxidation of phenol to benzoquinone in the presence of 664-nm light. By using the device, about 23% production of benzoquinone with 100% selectivity was achieved. The current research presents a prototype of transforming heterogeneous catalysts toward practical use.

scholarly journals Role of the national energy system modelling in the process of the policy development

2012 ◽  
Vol 16 (3) ◽  
pp. 703-715 ◽  
Author(s):  
Matevz Pusnik ◽  
Boris Sucic ◽  
Andreja Urbancic ◽  
Stane Merse
Keyword(s):  
System Analysis ◽  
Renewable Energy Sources ◽  
Research Work ◽  
Calculated Data ◽  
Energy Systems ◽  
Energy System ◽  
Alternative Possibilities ◽  
System Modelling ◽  
Small Energy ◽  
New Approach

Strategic planning and decision making, nonetheless making energy policies and strategies, is very extensive process and has to follow multiple and often contradictory objectives. During the preparation of the new Slovenian Energy Programme proposal, complete update of the technology and sector oriented bottom up model of Reference Energy and Environmental System of Slovenia (REES-SLO) has been done. During the redevelopment of the REES-SLO model trade-off between the simulation and optimisation approach has been done, favouring presentation of relations between controls and their effects rather than the elusive optimality of results which can be misleading for small energy systems. Scenario-based planning was integrated into the MESAP (Modular Energy System Analysis and Planning) environment, allowing integration of past, present and planned (calculated) data in a comprehensive overall system. Within the paper, the main technical, economic and environmental characteristics of the Slovenian energy system model REES-SLO are described. This paper presents a new approach in modelling relatively small energy systems which goes beyond investment in particular technologies or categories of technology and allows smooth transition to low carbon economy. Presented research work confirms that transition from environment unfriendly fossil fuelled economy to sustainable and climate friendly development requires a new approach, which must be based on excellent knowledge of alternative possibilities of development and especially awareness about new opportunities in exploitation of energy efficiency and renewable energy sources.

Effectiveness in Sales Interactions: A Contingency Framework

1981 ◽  
Vol 45 (1) ◽  
pp. 85-103 ◽  
Author(s):  
Barton A. Weitz
Keyword(s):  
Moderating Effect ◽  
Research Directions ◽  
New Approach ◽  
Contingency Framework

A new approach for research on effectiveness in sales interactions is proposed. This approach is based on considering the moderating effect of the salesperson's resources, the customer's buying task, and the customer-salesperson relationship. A contingency framework is presented and research directions related to the framework are suggested.

Text Mining in Bioinformatics

2013 ◽  
Vol 3 (2) ◽  
pp. 30-39 ◽  
Author(s):  
Yanliang Qi
Keyword(s):  
Text Mining ◽  
State Of The Art ◽  
Rapid Development ◽  
Exponential Rate ◽  
Data Set ◽  
Research Directions ◽  
Main Research ◽  
Needed Information ◽  
Huge Data ◽  
Daunting Task

Biomedical literatures have been increased at the exponential rate. To find the useful and needed information from such a huge data set is a daunting task for users. Text mining is a powerful tool to solve this problem. In this paper, we surveyed on text mining in Bioinformatics with emphasis on applications of text mining for bioinformatics. In this paper, the main research directions of text mining in bioinformatics are accompanied with detailed examples. This paper suited the need for the state-of-the-art of the field of text mining in Bioinformatics because of the rapid development in both text mining and bioinformatics. Finally, the problems and future way are identified at last.

Initial attempt to optimize the operation of a hydrometric network using branch and bound algorithm

1988 ◽  
Vol 15 (4) ◽  
pp. 717-725 ◽  
Author(s):  
Patrice M. Pelletier ◽  
Slobodan P. Simonovic
Keyword(s):  
Heuristic Algorithm ◽  
Optimal Solution ◽  
Optimization Techniques ◽  
Traveling Salesman ◽  
Future Research ◽  
Initial Attempt ◽  
Research Directions ◽  
New Approach ◽  
Future Research Directions ◽  
Field Area

The paper presents a new approach developed to formulate and solve the problem of field operation of a hydrometric network. In present practice, optimization techniques are not used for solving this problem. In the initial attempt, documented in the paper, the traveling salesman algorithm is used to find the optimal solution. Assumptions used and experience gained during the research are addressed in the paper. For the Dauphin hydrometric field area in Manitoba, an "optimal" solution has been obtained and presented. Based on the analysis of the results, conclusions were drawn about future research directions incorporating development of an effective heuristic algorithm for solving the traveling hydrometric technician problem. Key words: operation, hydrometric network, optimization, heuristic algorithm, traveling salesman algorithm.

The U.S. Department of Energy’s Research and Development Portfolio of Hydrogen Production Technologies

2011 ◽  
Author(s):  
Roxanne Garland ◽  
Sara Dillich ◽  
Eric Miller ◽  
Kristine Babick ◽  
Kenneth Weil
Keyword(s):  
Renewable Energy ◽  
Hydrogen Production ◽  
Research And Development ◽  
Water Splitting ◽  
Nuclear Energy ◽  
Renewable Energy Sources ◽  
Water Electrolysis ◽  
Small Scale ◽  
Diverse Range ◽  
Production Technologies

The goal of the US Department of Energy (DOE) hydrogen production portfolio is to research and develop low-cost, highly efficient and environmentally friendly production technologies based on diverse, domestic resources. The DOE Hydrogen Program integrates basic and applied research, as well as technology development and demonstration, to adequately address a diverse range of technologies and feedstocks. The program encompasses a broad spectrum of coordinated activities within the DOE Offices of Energy Efficiency and Renewable Energy (EERE), Nuclear Energy (NE), Fossil Energy (FE), and Science (SC). Hydrogen can be produced in small, medium, and larger scale facilities, with small-scale distributed facilities producing from 100 to 1,500 kilograms (kg) of hydrogen per day at fueling stations, and medium-scale (also known as semi-central or city-gate) facilities producing from 1,500 to 50,000 kg per day on the outskirts of cities. The largest central facilities would produce more than 50,000 kg of hydrogen per day. Specific technologies currently under program development for distributed hydrogen production include bio-derived renewable liquids and water electrolysis. Centralized renewable production pathways under development include water electrolysis integrated with renewable power (e.g., wind, solar, hydroelectric, or geothermal), biomass gasification, solar-driven high-temperature thermochemical water splitting, direct photoelectrochemical water splitting, and biological production methods using algal/bacterial processes. To facilitate commercialization of hydrogen production via these various technology pathways in the near and long terms, a “Hydrogen Production Roadmap” has been developed which identifies the key challenges and high-priority research and development needs associated with each technology. The aim is to foster research that will lead to hydrogen production with near-zero net greenhouse gas emissions, using renewable energy sources, nuclear energy, and/or coal (with carbon capture and storage). This paper describes the research and development needs and activities by various DOE offices to address the key challenges in the portfolio of hydrogen production technologies.

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