Flor Siperstein

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.

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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.

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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.

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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.

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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.

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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.

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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

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2018

Computational Characterisation of Dried and Hydrated Graphene Oxide Membranes

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

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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

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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.

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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.

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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.

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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

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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.

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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

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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

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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.

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Micelle response to changes in solvent properties

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

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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

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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

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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

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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 Sep 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

2010

Adsorption of CO2, CH4, and N2 on zeolitic imidazolate frameworks: Experiments and simulations

Pérez-Pellitero, J., Amrouche, H., Siperstein, F. R., Pirngruber, G., Nieto-Draghi, C., Chaplais, G., Simon-Masseron, A., Bazer-Bachi, D., Peralta, D. & Bats, N., 1 Feb 2010, In: Chemistry - A European Journal. 16, 5, p. 1560-1571 11 p.

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

A molecular simulation study of adsorption of nitrogen and methane in titanium silicate (ETS-4)

Siperstein, F. R., Lísal, M. & Brennan, J. K., Feb 2010, In: Collection of Czechoslovak Chemical Communications. 75, 2, p. 145-164 19 p.

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

2009

CaSPA - an algorithm for calculation of the size of percolating aggregates

Magee, J. E., Dutton, H. & Siperstein, F. R., Sep 2009, In: Computer Physics Communications. 180, 9, p. 1503-1510 7 p.

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

Formation of ordered mesoporous materials under slow aggregation conditions

Magee, J. E. & Siperstein, F. R., 5 Feb 2009, In: Journal of Physical Chemistry C. 113, 5, p. 1680-1685 5 p.

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

Mixing and dissolution times for a cowles disk agitator in large-scale emulsion preparation

Rodgers, T. L., Cooke, M., Siperstein, F. R. & Kowalski, A., 15 Jul 2009, In: Industrial and Engineering Chemistry Research. 48, 14, p. 6859-6868 9 p.

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

Flor Siperstein

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