Zobrazeno 1 - 10
of 26
pro vyhledávání: '"Esther Forte"'
Publikováno v:
Adsorption Science & Technology, Vol 34 (2016)
This work is framed within the Eighth Industrial Fluid Properties Simulation Challenge, with the aim of assessing the capability of molecular simulation methods and force fields to accurately predict adsorption in porous media for systems of relevant
Externí odkaz:
https://doaj.org/article/994fdf818759402bb3f6bc11d4fafa2c
Autor:
Christian Frederik Breitkreuz, Maximilian Dyga, Esther Forte, Jakob Burger, Jan A.M. de Bont, Jan Wery, Thomas Grützner, Fabian Jirasek, Hans Hasse
Trioxane, a cyclic trimer of formaldehyde, is an important intermediate that is mainly used as a source of water-free formaldehyde in chemical production processes. Different routes for the production of trioxane from aqueous formaldehyde solutions h
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::050cd15f637b4ae914a293ffc19034a1
https://doi.org/10.31219/osf.io/zawyp
https://doi.org/10.31219/osf.io/zawyp
Thermodynamic models contain parameters which are adjusted to experimental data. Usually, optimal descriptions of different data sets require different parameters. Multi-criteria optimization (MCO) is an appropriate way to obtain a compromise. This i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::357cf04a4bdbb5adc3b7386a82585e0c
https://doi.org/10.31219/osf.io/4fp9w
https://doi.org/10.31219/osf.io/4fp9w
Multi-objective optimization of equation of state molecular parameters: SAFT-VR Mie models for water
Autor:
Edward J. Graham, Esther Forte, Jakob Burger, Amparo Galindo, George Jackson, Claire S. Adjiman
Publikováno v:
Computers & Chemical Engineering. 167:108015
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9e9a402fede6aa9ef6865523101eca8d
https://doi.org/10.1016/j.compchemeng.2022.108015
https://doi.org/10.1016/j.compchemeng.2022.108015
Autor:
Claire S. Adjiman, Amparo Galindo, Spiros Kournopoulos, George Jackson, Esther Forte, Felipe A. Perdomo, Maximilian Kohns, Georgia Lazarou
Publikováno v:
Physical chemistry chemical physics : PCCP. 22(27)
The distribution of ionic species in electrolyte systems is important in many fields of science and engineering, ranging from the study of degradation mechanisms to the design of systems for electrochemical energy storage. Often, other phenomena clos
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b5de273b11e9eafe3d8efe3011c2ed51
https://pubmed.ncbi.nlm.nih.gov/32609107
https://pubmed.ncbi.nlm.nih.gov/32609107
Publikováno v:
Journal of Power Sources. 398:215-223
Lithium bis(fluorosulfonyl)imide (LiFSI) is an interesting novel electrolyte for lithium-ion batteries. In the present work, the electrical conductivity of solutions of LiFSI in binary and ternary mixtures of the solvents dimethyl carbonate (DMC), et
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e94c1701a18b12c56103dd18f91491c4
https://doi.org/10.1016/j.jpowsour.2018.07.065
https://doi.org/10.1016/j.jpowsour.2018.07.065
Digitalization is about data and how they are used. This has always been a key topic in applied thermodynamics. In the present work, the influence of the current wave of digitalization on thermodynamics is analyzed. Thermodynamic modeling and simulat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d3abf378b80b8a76f69fb402c9a64a20
Autor:
George Jackson, Amparo Galindo, Panos Seferlis, Esther Forte, Sara Badr, Alexandros Chremos, Athanasios I. Papadopoulos, Stavros Papadokonstantakis, Theodoros Zarogiannis, Claire S. Adjiman
Publikováno v:
Molecular Systems Design & Engineering. 1:313-334
The identification of improved carbon dioxide (CO2) capture solvents remains a challenge due to the vast number of potentially-suitable molecules. We propose an optimization-based computer-aided molecular design (CAMD) method to identify and select,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f1ebecfe26c579f3785820cdda4b83c3
https://doi.org/10.1039/c6me00049e
https://doi.org/10.1039/c6me00049e
Finding appropriate parameter sets for a given equation of state to describe different properties of a certain substance is an optimization problem with conflicting objectives. Such problem is commonly addressed by single-criteria optimization in whi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::93a3ce379816bbbf6468a8134ba94a4f
https://publica.fraunhofer.de/handle/publica/250851
https://publica.fraunhofer.de/handle/publica/250851
Autor:
J. P. Martin Trusler, Geoffrey C. Maitland, Esther Forte, José J. Rodriguez-Henríquez, Saif Z.S. Al Ghafri
Publikováno v:
The Journal of Physical Chemistry B. 118:14461-14478
In this work we report phase equilibrium measurements on the system (methane + carbon dioxide + water) carried out with a high-pressure quasi-static-analytical apparatus. The measurements have been made under conditions of two-phase vapor-liquid equi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e7d5f7fe756d6231d53be92c6d2a79b1
https://doi.org/10.1021/jp509678g
https://doi.org/10.1021/jp509678g