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Danaf, Mazen (author), Becker, Felix (author), Song, Xiang (author), Atasoy, B. (author), Ben-Akiva, Moshe (author)This paper presents a framework for estimating and updating user preferences in the context of app-based recommender systems. We specifically consider recommender systems which provide personalized menus of options to users. A Hierarchical Bayes procedure is applied in order to account for inter- and intra-consumer heterogeneity, representing...journal article 2019
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Barrera Crespo, Pedro D. (author), Mosselman, E. (author), Giardino, Alessio (author), Becker, Anke (author), Ottevanger, Willem (author), Nabi, Mohamed (author), Arias Hidalgo, Mijail (author)The equatorial Daule and Babahoyo rivers meet and combine into the tidal Guayas River, which flows into the largest estuary on the Pacific coast of South America. The city of Guayaquil, located along the Guayas, is the main port of Ecuador but, at the same time, the planet's fourth most vulnerable city to future flooding due to climate change....journal article 2019
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Wang, M. (author), Becker, T. (author), Schouten, Bob (author), Vlugt, T.J.H. (author), Infante Ferreira, C.A. (author)To use high-temperature waste heat generated by diesel engines for onboard refrigeration of fishing vessels, an ammonia-based double-effect vapor absorption refrigeration cycle is proposed. Non-volatile ionic liquids are applied as absorbents in the double-effect absorption system. In comparison to systems using ammonia/water fluid, the...journal article 2018
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Jamali, S.H. (author), Wolff, L.W.M. (author), Becker, T. (author), Bardow, André (author), Vlugt, T.J.H. (author), Moultos, O. (author)Molecular Dynamics simulations were performed for the prediction of the finite-size effects of Maxwell-Stefan diffusion coefficients of molecular mixtures and a wide variety of binary Lennard-Jones systems. A strong dependency of computed diffusivities on the system size was observed. Computed diffusivities were found to increase with the...journal article 2018
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Becker, T. (author), Wang, M. (author), Kabra, Abhishek (author), Jamali, S.H. (author), Ramdin, M. (author), Dubbeldam, D. (author), Infante Ferreira, C.A. (author), Vlugt, T.J.H. (author)For absorption refrigeration, it has been shown that ionic liquids have the potential to replace conventional working pairs. Due to the huge number of possibilities, conducting lab experiments to find the optimal ionic liquid is infeasible. Here, we provide a proof-of-principle study of an alternative computational approach. The required...journal article 2018
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Ramdin, M. (author), Jamali, S.H. (author), Becker, T. (author), Vlugt, T.J.H. (author)Vapour–liquid equilibrium (VLE) and volumetric data of multicomponent mixtures are extremely important for natural gas production and processing, but it is time consuming and challenging to experimentally obtain these properties. An alternative tool is provided by means of molecular simulation. Here, Monte Carlo (MC) simulations in the Gibbs...journal article 2018
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Becker, T. (author), Luna-Triguero, Azahara (author), Vicent-Luna, Jose Manuel (author), Lin, Li Chiang (author), Dubbeldam, David (author), Calero, Sofia (author), Vlugt, T.J.H. (author)The separation of light olefins from paraffins via cryogenic distillation is a very energy intensive process. Solid adsorbents and especially metal-organic frameworks with open metal sites have the potential to significantly lower the required energy. Specifically, M-MOF-74 has drawn considerable attention for application in olefin/paraffin...journal article 2018
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Becker, T. (author), Lin, Li Chiang (author), Dubbeldam, D. (author), Vlugt, T.J.H. (author)On the short term, carbon capture is a viable solution to reduce human-induced CO<sub>2</sub> emissions, which requires an energy efficient separation of CO<sub>2</sub>. Metal-organic frameworks (MOFs) may offer opportunities for carbon capture and other industrially relevant separations. Especially, MOFs with embedded open metal sites have...journal article 2018
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Wolff, L.W.M. (author), Jamali, S.H. (author), Becker, T. (author), Moultos, O. (author), Vlugt, T.J.H. (author), Bardow, André (author)Mutual diffusion coefficients can be successfully predicted with models based on the Darken equation. However, Darken-based models require composition-dependent self-diffusion coefficients which are rarely available. In this work, we present a predictive model for composition-dependent self-diffusion coefficients (also called tracer diffusion...journal article 2018
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Becker, Felix (author), Danaf, Mazen (author), Song, Xiang (author), Atasoy, B. (author), Ben-Akiva, Moshe (author)Estimating discrete choice models on panel data allows for the estimation of preference heterogeneity in the sample. While the Logit Mixture model with random parameters is mostly used to account for variation across individuals, preferences may also vary across different choice situations of the same individual. Up to this point, Logit...journal article 2018
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Mosselman, E. (author), Barrera Crespo, P. (author), Becker, A (author), Ottevanger, W. (author), Nabi, M. (author), Giardino, A (author), de Keizer, O (author), Arias Hidalgo, M.E. (author), Sanchez, D. (author), Pazmiño Nelson, N. (author)The Equatorian Daule and Babahoyo rivers combine into the tidal Guayas River with the largest estuary on the Pacific coast of South America. The city of Guayaquil, located along the Guayas, is the main port of Ecuador but at the same time the planet’s fourth most vulnerable city for future flooding due to climate change, after Guangzhou, Mumbai...other 2017
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Barrera Crespo, P. (author), Becker, A (author), Ottevanger, W. (author), Nabi, M. (author), Giardino, A (author), de Keizer, O (author), Arias Hidalgo, M.E. (author), Sanchez, D. (author), Mosselman, E. (author), Pazmiño Nelson, N. (author)The Equatorian Daule and Babahoyo rivers combine into the tidal Guayas River with the largest estuary on the Pacific coast of South America. The city of Guayaquil, located along the Guayas, is the main port of Ecuador but at the same time the planet’s fourth most vulnerable city for future flooding due to climate change, after Guangzhou, Mumbai...abstract 2017
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Kabra, Abhishek (author), Becker, T. (author), Wang, M. (author), Infante Ferreira, C.A. (author), Vlugt, T.J.H. (author)Force Field based Monte Carlo (MC) simulations are conducted to predict the performance of an absorption heat pump cycle involving NH3/ionic liquid (IL) (refrigerant/absorbent) as working pair. To investigate the thermodynamic performance of the cycle, various properties such as the enthalpy of absorption, heat capacity, and solubility of...conference paper 2017
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Luna-Triguero, Azahara (author), Vicent Luna, J.M. (author), Becker, T. (author), Vlugt, T.J.H. (author), Dubbeldam, D. (author), Gomez-Alvarez, Paula (author), Calero, Sofia (author)An increase in demand for energy efficient processes for the separation of saturated and unsaturated light hydrocarbons mixtures drives the need of noncryogenic processes. The adsorptive separation using Metal-Organic Frameworks with coordinatively unsaturated metal sites may provide a cost-effective alternative due to the strong binding of the...journal article 2017
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Jamali, S.H. (author), Ramdin, M. (author), Becker, T. (author), Rinwa, Shwet Kumar (author), Buijs, W. (author), Vlugt, T.J.H. (author)Crown-ethers have recently been used to assemble porous liquids (PLs), which are liquids with permanent porosity formed by mixing bulky solvent molecules (e.g., 15-crown-5 ether) with solvent-inaccessible organic cages. PLs and crown-ethers belong to a novel class of materials, which can potentially be used for gas separation and storage, but...journal article 2017
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Jamali, S.H. (author), Ramdin, M. (author), Becker, T. (author), Torres-Knoop, Ariana (author), Dubbeldam, D. (author), Buijs, W. (author), Vlugt, T.J.H. (author)Natural gas, synthesis gas, and flue gas typically contain a large number of impurities (e.g., acidic gases), which should be removed to avoid environmental and technological problems, and to meet customer specifications. One approach is to use physical solvents to remove the acidic gases. If no experimental data are available, the solubility...journal article 2017
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Becker, T. (author), Heinen, J. (author), Dubbeldam, D. (author), Lin, L. (author), Vlugt, T.J.H. (author)(Graph Presented) The family of M-MOF-74, with M = Co, Cr, Cu, Fe, Mg, Mn, Ni, Ti, V, and Zn, provides opportunities for numerous energy related gas separation applications. The pore structure of M-MOF-74 exhibits a high internal surface area and an exceptionally large adsorption capacity. The chemical environment of the adsorbate molecule in...journal article 2017
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Becker, M. (author), Lippold, H. (author)The preferred method for the storage of spent nuclear fuel (HLW) is the disposal in deep geological formations. The repository will consist not only of the geological barrier but also of an engineered barrier and has to isolate the waste for at least 106 years from the biosphere [1]. In this barrier, several materials like concrete or bentonite...conference paper 2016
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Groenemeijer, P (author), Vajda, A (author), Lehtonen, I (author), Kämäräinen, M (author), Venäläinen, A (author), Gregow, H (author), Becker, N (author), Nissen, K (author), Ulbrich, U (author), Paprotny, D. (author), Morales Napoles, O. (author), Púčik, T (author)This report presents analyses of the probability of hydro-meteorological hazard occurrence, which were carried out within the RAIN project. Those probabilities and their projected changes during the 21st century are an input to subsequent risk analyses which assist the identification of optimal adaptation measures. The spatial distributions of...report 2016
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Ramdin, M. (author), Becker, T. (author), Jamali, S.H. (author), Wang, M. (author), Vlugt, T.J.H. (author)Monte Carlo (MC) simulations in ensembles with a fixed chemical potential or fugacity, for example the grand-canonical or the osmotic ensemble, are often used to compute phase equilibria. Chemical potentials can be computed either with an equation of state (EoS) or from molecular simulations. The accuracy of the computed chemical potentials...journal article 2016