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51.
Somnath Karmakar 《Polycyclic Aromatic Compounds》2019,39(2):159-171
Eigensolutions of {X( = C,B,N),Y( = C,B,N)}-cyclacene graphs with next nearest neighbor (nnn) interactions have been obtained in analytical forms by adapting n-fold rotational symmetry followed by two-fold rotational symmetry (or a plane of symmetry). Expressions of eigensolution indicate the subspectral relationship among such cyclacenes with an even number of hexagonal rings e.g., eigenvalues of {X,Y}-di-cyclacene are found in the eigenspectra of all such even cyclacenes. Total π-electron energies and highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO–LUMO) gaps are calculated using the analytical expressions obtained and are found to vary negligibly with the variation of nnn interactions in such cyclacenes. Total π-electron energy is found to increase due to increase in restriction intensity of nnn interactions, whereas the HOMO–LUMO gap of polyacenecs having the even number of hexagonal rings and with one electron at each site (atom) decreases with increase in the restriction intensity since such systems contain degenerate half-filled HOMO (bonding or nonbonding) that are much more vulnerable for perturbations imposed through nnn interactions. 相似文献
52.
Daniela Fogli Antonio Piccinno Stefan Carmien Gerhard Fischer 《Behaviour & Information Technology》2020,39(1):27-46
ABSTRACTThe digital age of the future is ‘not out there to be discovered’, but it needs to be ‘designed’. The design challenge has to address questions about how we want to live, work, and learn (as individuals and as communities) and what we value and appreciate, e.g.: reflecting on quality of life and creating inclusive societies. An overriding design trade-off for the digital age is whether new developments will increase the digital divide or will create more inclusive societies. Sustaining inclusive societies means allowing people of all ages and all abilities to exploit information technologies for personally meaningful activities. Meta-design fosters the design of socio-technical environments that end-user developers can modify and evolve at use time to improve their quality of life and favour their inclusion in the society. This paper describes three case studies in the domain of assistive technologies in which end users themselves cannot act as end-user developers, but someone else (e.g.: a caregiver or a clinician) must accept this role requiring multi-tiered architectures. The design trade-offs and requirements for meta-design identified in the context of the case studies and other researchers’ projects are described to inform the development of future socio-technical environments focused on social inclusion. 相似文献
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55.
《International Journal of Hydrogen Energy》2019,44(5):2905-2917
In this study, a multi-tubular thermally coupled packed bed reactor in which simultaneous production of ammonia and methyl ethyl ketone (MEK) takes place is simulated. The simulation results are presented in two co-current and counter-current flow modes. Based on this new configuration, the released heat from the ammonia synthesis reaction as an extremely exothermic reaction in the inner tube is employed to supply the required heat for the endothermic 2-butanol dehydrogenation reaction in the outer tube. On the other hand, MEK and hydrogen are produced by the dehydrogenation reaction of 2-butanol in the endothermic side, and the produced hydrogen is used to supply a part of the ammonia synthesis feed in the exothermic side. Thus, 30.72% and 31.88% of the required hydrogen for the ammonia synthesis are provided by the dehydrogenation reaction in the co-current and counter-current configurations, respectively. Also, according to the thermal coupling, the required cooler and furnace for the ammonia synthesis and 2-butanol dehydrogenation conventional plants are eliminated, respectively. As a result, operational costs, energy consumption and furnace emissions are considerably decreased. Finally, a sensitivity analysis and optimization are applied to study the effect of the main process parameters variation on the system performance and obtain the minimum hydrogen make-up flow rate, respectively. 相似文献
56.
Value stream mapping (VSM) is a useful tool for describing the manufacturing state, especially for distinguishing between those activities that add value and those that do not. It can help in eliminating non-value activities and reducing the work in process (WIP) and thereby increase the service level. This research follows the guidelines for designing future state VSM. These guidelines consist of five factors which can be changed simply, without any investment. These five factors are (1) production unit; (2) pacemaker process; (3) number of batches; (4) production sequence; and (5) supermarket size. The five factors are applied to a fishing net manufacturing system. Using experimental design and a simulation optimizing tool, the five factors are optimized. The results show that the future state maps can increase service level and reduce WIP by at least 29.41% and 33.92% respectively. For the present study, the lean principles are innovatively adopted in solving a fishing net manufacturing system which is not a well-addressed problem in literature. In light of the promising empirical results, the proposed methodologies are also readily applicable to similar industries. 相似文献
57.
In architectural design, surface shapes are commonly subject to geometric constraints imposed by material, fabrication or assembly. Rationalization algorithms can convert a freeform design into a form feasible for production, but often require design modifications that might not comply with the design intent. In addition, they only offer limited support for exploring alternative feasible shapes, due to the high complexity of the optimization algorithm.We address these shortcomings and present a computational framework for interactive shape exploration of discrete geometric structures in the context of freeform architectural design. Our method is formulated as a mesh optimization subject to shape constraints. Our formulation can enforce soft constraints and hard constraints at the same time, and handles equality constraints and inequality constraints in a unified way. We propose a novel numerical solver that splits the optimization into a sequence of simple subproblems that can be solved efficiently and accurately.Based on this algorithm, we develop a system that allows the user to explore designs satisfying geometric constraints. Our system offers full control over the exploration process, by providing direct access to the specification of the design space. At the same time, the complexity of the underlying optimization is hidden from the user, who communicates with the system through intuitive interfaces. 相似文献
58.
This short communication presents a generic mathematical programming formulation for computer-aided molecular design (CAMD). A given CAMD problem, based on target properties, is formulated as a mixed integer linear/non-linear program (MILP/MINLP). The mathematical programming model presented here, which is formulated as an MILP/MINLP problem, considers first-order and second-order molecular groups for molecular structure representation and property estimation. It is shown that various CAMD problems can be formulated and solved through this model. 相似文献
59.
《International Journal of Hydrogen Energy》2021,46(69):34449-34462
Three-dimensional Bödewadt flow (fluid rotates at a large enough distance from the stationary plate) of carbon nanomaterial is examined. Single walled and multi walled CNTs are dissolved in water and gasoline oil baseliquids. Darcy-Forchheimer porous medium is considered. Stationary disk is further stretched linearly in radial direction. Heat transfer effect is examined in presence of radiation and convection. Effect of viscous dissipation is accounted. Entropy generation rate is studied. By using adequate transformation (von Kármán relations), the flow field equations (PDEs) are transmitted into ODEs. Solutions to these ODEs are constructed via implementation of shooting method (bvp4c). In addition to Entropy generation rate, Bejan number, heat transfer rate (Nusselt number), skin friction and temperature of fluid are examined through involved physical parameters. Axial component of velocity intensifies with increment in nanoparticles volume fraction and ratio of stretching rate to angular velocity parameter while it decays with higher porosity parameter. Higher nanoparticles volume fraction and porosity parameter lead to decay in radial as well as tangential component of velocity. However it enhances with higher ratio of stretching rate to angular velocity parameter. Temperature of fluid directly varies with higher ratio of stretching rate to angular velocity parameter, radiation parameter, Eckert number, Biot number and nanoparticles volume fraction. Rate of Entropy generation is reduced with higher estimations of porosity parameter, nanoparticles volume fraction and radiation parameter. Skin friction coefficient decays with higher porosity parameter and ratio of stretching rate to angular velocity parameter. Intensification in porosity parameter, nanoparticles volume fraction and Biot number leads to higher Nusselt number. Prominent impact is shown by multiple-walled CNTs with gasoline oil basefluid than single-walled CNTs with water basefluid. 相似文献
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