Flor Siperstein

2024

Probing the Nanostructure and Reactivity of Epoxy-Amine Interphases

Morsch, S., Liu, Y., Harris, K., Siperstein, F. R., Lullo, C. D., Visser, P. & Lyon, S., 18 Dec 2024, In: ACS Applied Materials and Interfaces . 16, 50, p. 70097–70107

Research output: Contribution to journal › Article › peer-review

Open Access

Segregation in epoxy/amine systems on iron oxide surfaces

Harris, K., Wand, C. R., Visser, P. & Siperstein, F. R., 17 Apr 2024, (E-pub ahead of print) In: RSC Applied Interfaces.

Research output: Contribution to journal › Article › peer-review

Open Access

2023

The effect of cross-linker structure on interfacial interactions, polymer dynamics and network composition in an epoxy-amine resin

Morsch, S., Wand, C., Gibbon, S., Irwin, M., Siperstein, F. & Lyon, S., 30 Jan 2023, In: Applied Surface Science. 609, 155380.

Research output: Contribution to journal › Article › peer-review

Open Access

2022

Molecular origins of Epoxy-Amine/Iron oxide interphase formation

Morsch, S., Wand, C. R., Emad, S., Lyon, S., Siperstein, F., Malanin, M., Muche, J., Caspari, A., Drechsler, A., Eichhorn, K. J. & Gibbon, S., May 2022, In: Journal of Colloid and Interface Science. 613, p. 415-425 11 p., https://doi.org/10.1016/j.jcis.2022.01.016.

Research output: Contribution to journal › Article › peer-review

Open Access

2021

Adsorption of Epoxy Oligomers on Iron Oxide Surfaces: The Importance of Surface Treatment and the Role of Entropy

Wand, C. R., Gibbon, S. & Siperstein, F. R., 13 Oct 2021, In: Langmuir.

Research output: Contribution to journal › Article › peer-review

Open Access

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Analytic Expressions for the Isosteric Heat of Adsorption from Adsorption Isotherm Models and 2D SAFT‐VR EoS

Siperstein, F. R., Avendaño, C., Ortiz, J. J. & Gil‐villegas, A., 16 Jan 2021, In: AIChE Journal. e17186.

Research output: Contribution to journal › Article › peer-review

Open Access

High-throughput molecular simulations reveal the origin of ion free energy barriers in graphene oxide membranes

Williams, C. D., Siperstein, F. R. & Carbone, P., 28 Aug 2021, In: Nanoscale. 13, 32, p. 13693-13702 10 p.

Research output: Contribution to journal › Article › peer-review

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The development of a comprehensive toolbox based on multi-level, high-throughput screening of MOFs for CO/N<sub>2</sub>separations

Rampal, N., Ajenifuja, A., Tao, A., Balzer, C., Cummings, M. S., Evans, A., Bueno-Perez, R., Law, D. J., Bolton, L. W., Petit, C., Siperstein, F., Attfield, M., Jobson, M., Moghadam, P. Z. & Fairen-Jimenez, D., 2021, In: Chemical Science.

Research output: Contribution to journal › Article › peer-review

2020

Adsorptive separation of C2H6/C2H4 on metal-organic frameworks (MOFs) with pillared-layer structures

Xiang, H., Shao, Y., Ameen, A., Chen, H., Yang, W., Gorgojo, P., Siperstein, F., Fan, X. & Pan, Q., 2020, In: Separation and Purification Technology. 116819.

Research output: Contribution to journal › Article › peer-review

Open Access

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C₂H₄ and C₂H₆ adsorption-induced structural variation of pillared-layer CPL-2 MOF: A combined experimental and Monte Carlo simulation study

Xiang, H., Carter, J. H., Tang, C. C., Murray, C. A., Yang, S., Fan, X. & Siperstein, F. R., 8 Jun 2020, In: Chemical Engineering Science. 218, 115566.

Research output: Contribution to journal › Article › peer-review

Self-diffusion of glycerol in γ-alumina nanopores. The neglected role of pore saturation in the dynamics of confined polyalcohols

Campos-Villalobos, G., Siperstein, F. R., D'Agostino, C., Forster, L. & Patti, A., 30 Jun 2020, In: Applied Surface Science. 516, 146089.

Research output: Contribution to journal › Article › peer-review

Open Access

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Solvent-induced morphological transitions in methacrylate-based block-copolymer aggregates

Campos Villalobos, G. D. J., Siperstein, F., Charles, A. & Patti, A., 15 Jul 2020, In: Journal of Colloid and Interface Science.

Research output: Contribution to journal › Article › peer-review

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Understanding ethane/ethylene adsorption selectivity in ethane-selective microporous materials

Xiang, H., Fan, X. & Siperstein, F., 2020, In: Separation and Purification Technology. 116635.

Research output: Contribution to journal › Article › peer-review

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68 Downloads (Pure)

2019

Competitive Adsorption of a Multi-functional Amine and Phenol Surfactant with Ethanol on Hematite from Non-Aqueous Solution

Chia, C. L., Alloway, R. M., Jephson, I., Clarke, S. M., Filip, S. V., Siperstein, F. & Avendano, C., 14 Feb 2019, In: The Journal of Physical Chemistry Part B. 123, 6, p. 1375-1383 9 p.

Research output: Contribution to journal › Article › peer-review

Open Access

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274 Downloads (Pure)

Initial Studies Directed toward the Rational Design of Aqueous Graphene Dispersants

Heard, K. W. J., Bartlam, C., Williams, C. D., Zhang, J., Alwattar, A. A., Little, M. S., Parry, A. V. S., Porter, F. M., Vincent, M. A., Hillier, I. H., Siperstein, F. R., Vijayaraghavan, A., Yeates, S. G. & Quayle, P., 31 Jan 2019, In: ACS Omega. 4, 1, p. 1969-1981 13 p.

Research output: Contribution to journal › Article › peer-review

Open Access

In Silico Design and Characterization of Graphene Oxide Membranes with Variable Water Content and Flake Oxygen Content

Williams, C. D., Carbone, P. & Siperstein, F. R., 26 Mar 2019, In: ACS Nano. 13, 3, p. 2995-3004 10 p.

Research output: Contribution to journal › Article › peer-review

Phase Evolution During One-pot Synthesis of Amine Modified Mesoporous Silica Materials: Preparation, Properties, Carbon Dioxide Adsorption

Zelenak, V., Skřínska, M., Siperstein, F. & Patti, A., 2019, In: Applied Surface Science.

Research output: Contribution to journal › Article › peer-review

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Selective adsorption of ethane over ethylene on M(bdc) (ted)0.5 (M = Co, Cu, Ni, Zn) metal-organic frameworks (MOFs)

Xiang, H., Ameen, A., Gorgojo, P., Siperstein, F. R., Holmes, S. M. & Fan, X., 2019, In: Microporous and Mesoporous Materials. 109724.

Research output: Contribution to journal › Article › peer-review

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Synthesis and modification of moisture-stable coordination pillared-layer metal-organic framework (CPL-MOF) CPL-2 for ethylene/ethane separation

Xiang, H., Ameen, A., Shang, J., Jiao, Y., Gorgojo, P., Siperstein, F. & Fan, X., 2019, In: Microporous and Mesoporous Materials.

Research output: Contribution to journal › Article › peer-review

Open Access

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104 Downloads (Pure)

2018

Computational Characterisation of Dried and Hydrated Graphene Oxide Membranes

Williams, C. D., Carbone, P. & Siperstein, F., 2018, In: Nanoscale. 10, p. 1946-1956

Research output: Contribution to journal › Article › peer-review

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Design of 2D materials for selective adsorption: a comparison between Monte Carlo simulations and direct numerical integration

Xiang, H., Fan, X. & Siperstein, F. R., 1 Aug 2018, In: Molecular Systems Design & Engineering. 3, 4, p. 636-644

Research output: Contribution to journal › Article › peer-review

Open Access

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42 Downloads (Pure)

Design Rules for Graphene and Carbon-Nanotube Solvents and Dispersants

Hardy, A., Dix, J., Williams, C. D., Siperstein, F., Carbone, P. & Bock, H., 23 Jan 2018, In: ACS Nano. 12, 2, p. 1043-1049 7 p.

Research output: Contribution to journal › Article › peer-review

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The influence of the pore size in Metal−Organic Frameworks in adsorption and separation of hydrogen sulphide: a molecular simulation study

Al-Jadir, T. & Siperstein, F., 2018, In: Microporous and Mesoporous Materials.

Research output: Contribution to journal › Article › peer-review

Open Access

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Transferable Coarse-Grained MARTINI Model for Methacrylate-Based Copolymers

Campos-villalobos, G., Siperstein, F. R. & Patti, A., 2018, In: Molecular Systems Design & Engineering.

Research output: Contribution to journal › Article › peer-review

Open Access

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297 Downloads (Pure)

Velocity Variation Effect in Fixed Bed Columns: A Case Study of CO2 Capture using Porous Solid Adsorbents

Al-Janabi, N., Vakili, R., Kalumpasut, P., Gorgojo, P., Siperstein, F., Fan, X. & McCloskey, P., 2018, In: AIChE Journal. 64, 6, p. 2189–2197

Research output: Contribution to journal › Article › peer-review

Open Access

2017

Adsorption and Diusion of C1 to C4 Alkanes in Dual-Porosity Zeolites by Molecular Simulations

Rezlerova, E., Zukal, A., Cejka, J., Siperstein, F., Brennan, J. K. & Lisal, M., 2017, In: Langmuir.

Research output: Contribution to journal › Article › peer-review

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296 Downloads (Pure)

Adsorption of Cd(II) and Pb(II) ions from aqueous solutions using mesoporous activated carbon adsorbent: Equilibrium, kinetics and characterisation studies

Asuquo, E., Martin, A., Nzerem, P., Siperstein, F. & Fan, X., 1 Feb 2017, In: Journal of Environmental Chemical Engineering. 5, p. 679-698

Research output: Contribution to journal › Article › peer-review

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Binding CO2 by a Cr8 metallacrown

Vitorica-Yrezabal, I., Sava, D., Timco, G., Brown, M., Savage, M., Godfrey, H., Moreau, F., Schroder, M., Siperstein, F., Brammer, L., Yang, S., Attfield, M., Mcdouall, J. & Winpenny, R., 2017, In: Angewandte Chemie - International Edition. 56, 20

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Cyclic adsorption of water vapour on CuBTC MOF: Sustaining the hydrothermal stability under non-equilibrium conditions

Al-Janabi, N., Martis, V., Servi, N., Siperstein, F. & Fan, X., 1 Oct 2017, In: CHEMICAL ENGINEERING JOURNAL. 333, p. 594-602

Research output: Contribution to journal › Article › peer-review

Open Access

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Liquid Adsorption of Organic Compounds on Hematite α-Fe2O3 using ReaxFF

Chia, C. L., Avendano , C., Siperstein, F. & Filip, S., 24 Oct 2017, In: Langmuir. 33, 42, p. 11257-11263 7 p.

Research output: Contribution to journal › Article › peer-review

Open Access

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720 Downloads (Pure)

Micelle response to changes in solvent properties

Rodgers, T., Magee, J., Amure, T. & Siperstein, F., 2017, In: Soft Matter. 12, p. 9014-9024

Research output: Contribution to journal › Article › peer-review

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2016

A facile post-synthetic modification method to improve hydrothermal stability and CO2 selectivity of CuBTC metal-organic framework

Al-Janabi, N., Deng, H., Borges, J., Liu, X., Garforth, A., Siperstein, F. & Fan, X., 2016, In: Industrial & Engineering Chemistry Research. 55, 29, p. 7941-7949

Research output: Contribution to journal › Article › peer-review

Open Access

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731 Downloads (Pure)

Assessment of MOF’s Quality: Quantifying Defects Content in Crystalline Porous Materials

Al-Janabi, N., Fan, X. & Siperstein, F., 6 Apr 2016, In: Journal of Physical Chemistry Letters. 7, 8, p. 1490-1494

Research output: Contribution to journal › Article › peer-review

Open Access

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183 Downloads (Pure)

Monte Carlo Simulation of Adsorption of Polar and Nonpolar Gases in (FP)YEu Metal–Organic Framework

Al-Jadir, T. & Siperstein, F., 28 Nov 2016, In: Journal of Chemical & Engineering Data. p. 4209–4214

Research output: Contribution to journal › Article › peer-review

Open Access

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Underlying mechanism of the hydrothermal instability of Cu3(BTC)2 metal-organic framework

Al-Janabi, N., Alfutimie, A., Siperstein, F. & Fan, X., Mar 2016, In: Frontiers of Chemical Science and Engineering. 10, 1, p. 103-107 5 p.

Research output: Contribution to journal › Article › peer-review

2015

In silico designed microporous carbons

Gonciaruk, A. & Siperstein, F. R., Jul 2015, In: Carbon. 88, p. 185-195 11 p.

Research output: Contribution to journal › Article › peer-review

Open Access

Mapping the Cu-BTC metal-organic framework (HKUST-1) stability envelope in the presence of water vapour for CO2 adsorption from flue gases

Al-Janabi, N., Hill, P., Torrente-Murciano, L., Garforth, A., Gorgojo, P., Siperstein, F. & Fan, X. L., 9 Jul 2015, In: Chemical Engineering Journal. 281, p. 669-677 9 p.

Research output: Contribution to journal › Article › peer-review

2014

Application of Density Functional Theory for Determining Pore-Size Distributions of Microporous Activated Carbons

Figueroa-Gerstenmaier, S., Siperstein, F. R., Celzard, A. & Fierro, V., 2014, In: Adsorption Science & Technology. 32, 1, p. 23-35 13 p.

Research output: Contribution to journal › Article › peer-review

Comparison of generic force fields for packing of concave molecules

Del Regno, A. & Siperstein, F. R., 2014, In: MOLECULAR PHYSICS. 112, 17, p. 2241-2248 8 p.

Research output: Contribution to journal › Article › peer-review

PIM-1/graphene composite: A combined experimental and molecular simulation study

Gonciaruk, A., Althumayri, K., Harrison, W., Budd, P. M. & Siperstein, F. R., 24 Jul 2014, In: Microporous and Mesoporous Materials. 209, p. 126-134 9 p.

Research output: Contribution to journal › Article › peer-review

2013

Characterizing the Structure of Organic Molecules of Intrinsic Microporosity by Molecular Simulations and X-ray Scattering

Abbott, L. J., McDermott, A. G., Del Regno, A., Taylor, R. G. D., Bezzu, C. G., Msayib, K. J., McKeown, N. B., Siperstein, F. R., Runt, J. & Colina, C. M., 2013, In: Journal of Physical Chemistry B. 117, 1, p. 355-364 10 p.

Research output: Contribution to journal › Article › peer-review

Organic molecules of intrinsic microporosity: Characterization of novel microporous materials

Regno, A. D. & Siperstein, F., 2013, In: Microporous and Mesoporous Materials. 176, p. 55-63 9 p.

Research output: Contribution to journal › Article › peer-review

Open Access

Organic molecules of intrinsic microporosity: Characterization of novel microporous materials (vol 176, pg 55, 2013)

Del Regno, A., Siperstein, F. R., Taylor, R. G. D. & McKeown, N. B., 2013, In: Microporous and Mesoporous Materials. 179, p. 265-265 1 p.

Research output: Contribution to journal › Article › peer-review

Polymers of Intrinsic Microporosity Containing Tröger Base for CO2 Capture

Regno, A. D., Gonciaruk, A., Leay, L., Carta, M., Croad, M., Malpass-Evans, R., McKeown, N. B. & Siperstein, F. R., 2013, In: Industrial & Engineering Chemistry Research. 52, 47, p. 16939-16950 12 p.

Research output: Contribution to journal › Article › peer-review

Single Polymer Chain Surface Area as a Descriptor for Rapid Screening of Microporous Polymers for Gas Adsorption

Leay, L. & Siperstein, F. R., 2013, In: Adsorption Science & Technology. 31, 1, p. 99-112 14 p.

Research output: Contribution to journal › Article › peer-review

2012

Prediction of thermodynamic properties of adsorbed gases in zeolitic imidazolate frameworks

Amrouche, H., Creton, B., Siperstein, F. & Nieto-Draghi, C., 21 Jul 2012, In: RSC Advances. 2, 14, p. 6028-6035 7 p.

Research output: Contribution to journal › Article › peer-review

2011

Comparison of a networks-of-zones fluid mixing model for a baffled stirred vessel with three-dimensional electrical resistance tomography

Rodgers, T. L., Siperstein, F. R., Mann, R., York, T. A. & Kowalski, A., Oct 2011, In: Measurement Science and Technology. 22, 10, 104014.

Research output: Contribution to journal › Article › peer-review

Dissolution of lamellar phases

Rodgers, T. L., Mihailova, O. & Siperstein, F. R., 1 Sept 2011, In: Journal of Physical Chemistry B. 115, 34, p. 10218-10227 9 p.

Research output: Contribution to journal › Article › peer-review

Experimental and computational study of functionality impact on sodalite-zeolitic imidazolate frameworks for CO2 separation

Amrouche, H., Aguado, S., Pérez-Pellitero, J., Chizallet, C., Siperstein, F., Farrusseng, D., Bats, N. & Nieto-Draghi, C., 25 Aug 2011, In: Journal of Physical Chemistry C. 115, 33, p. 16425-16432 7 p.

Research output: Contribution to journal › Article › peer-review

Methane adsorption in PIM-1

Larsen, G. S., Lin, P., Siperstein, F. R. & Colina, C. M., Feb 2011, In: Adsorption. 17, 1, p. 21-26 5 p.

Research output: Contribution to journal › Article › peer-review

Flor Siperstein

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