Large-Scale Computational Screening of Zeolites for Ethane/Ethene Separation
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Owing to their high surface areas, tunable pore dimensions, and adjustable surface functionality, metal-org. frameworks (MOFs) can offer advantages for a variety of gas storage and gas sepn. applications. In an effort to help curb greenhouse gas emissions ...
We introduce a multi-dimensional point-wise multi-domain hybrid Fourier-Continuation/WENO technique (FC-WENO) that enables high-order and non-oscillatory solution of systems of nonlinear conservation laws, and essentially dispersionless, spectral, solution ...
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A significant redn. in the energy costs assocd. with the cryogenic sepn. of ethylene-ethane and propylene-propane mixts. could potentially be realized through the use of selective solid adsorbents that operate at higher temps. The metal-org. frameworks M2( ...
Dynamic programming is an algorithmic technique to solve problems that follow the Bellman’s principle: optimal solutions depends on optimal sub-problem solutions. The core idea behind dynamic programming is to memoize intermediate results into matrices to ...
Traditionally, parallel implementations of multimedia algorithms are carried out manually, since the automation of this task is very difficult due to the complex dependencies that generally exist between different elements of the data set. Moreover, there ...
Institute of Electrical and Electronics Engineers2013
We have conducted large-scale screening of zeolite materials for CO 2/CH4 and CO2/N2 membrane separation applications using the free energy landscape of the guest molecules inside these porous materials. We show how advanced molecular simulations can be in ...
The design of adsorption-based separation processes using novel adsorbents requires reliable data for the adsorption of fluid mixtures on candidate adsorbents. Due to the difficulty of generating sufficient data across possible operating conditions, proces ...
This paper introduces SIMinG-1k-a manycore simulator infrastructure. SIMinG-1k is a graphics processing unit accelerated, parallel simulator for design-space exploration of large-scale manycore systems. It features an optimal trade-off between modeling acc ...
The presence of H2O in postcombustion gas streams is an important technical issue for deploying CO2-selective adsorbents. Because of its permanent dipole, H2O can interact strongly with materials where the selectivity for CO2 is a consequence of its quadru ...