Sondre Kvalvåg Schnell
73412047
45275463
Kjemi 2, 104, Gløshaugen
Om
Vår forskning dreier seg om bruk av numeriske simuleringer av system for å bestemme termodynamiske egenskaper, både i likevekt og ikke-likevekt. Spesielt fokuserer vi på to tema: transport i Magnesiumion batteri, en alternativ batteriteknologi, og nanotermodynamikk, som er et forsøk på å beskrive hvordan masse, varme, og arbeid henger sammen i svært små systemer, og hva som skiller disse systemene fra store system. I arbeidet bruker vi molekyl simuleringer, simuleringer som eksplisitt tar hensyn til enkelt-atomer, og modellerer interaksjonene og hvordan de påvirker hverandre.
Fra høsten 2018 vil vi begynne å jobbe med Forskingsrådsfinansierte FRIPRO prosjektet NanoTherm, der vi skal studere hvordan termodynamikk kan brukes for å beskrive sammenhengen mellom varme og energi i molekylære maskiner.
Nåværende PhD-studenter:
I tillegg er jeg med-veileder for:
Publikasjoner
2022
- Bråten, Vilde; Zhang, Daniel Tianhou; Hammer, Morten; Aasen, Ailo; Schnell, Sondre Kvalvåg; Wilhelmsen, Øivind. (2022) Equation of state for confined fluids. Journal of Chemical Physics. volum 156 (24).
- Hadler-Jacobsen, Jacob; Schnell, Sondre Kvalvåg. (2022) The Importance of Stacking and Coordination for Li, Na, and Mg Diffusion and Intercalation in Ti<inf>3</inf>C<inf>2</inf>T<inf>2</inf> MXene. Advanced Materials Interfaces. volum 9 (17).
- Røe, Ingeborg Treu; Schnell, Sondre Kvalvåg. (2022) Local surface crystal structure fluctuation on Li, Na and Mg metal anodes. Molecular Physics.
2021
- Bråten, Vilde; Bedeaux, Dick; Wilhelmsen, Øivind; Schnell, Sondre Kvalvåg. (2021) Small Size Effects in Open and Closed Systems: What Can We Learn from Ideal Gases about Systems with Interacting Particles?. Journal of Chemical Physics. volum 155 (24).
- Bråten, Vilde; Wilhelmsen, Øivind; Schnell, Sondre Kvalvåg. (2021) Chemical Potential Differences in the Macroscopic Limit from Fluctuations in Small Systems. Journal of Chemical Information and Modeling. volum 61 (2).
- Hadler-Jacobsen, Jacob; Fagerli, Frode Håskjold; Kaland, Henning; Schnell, Sondre KvalvÃ¥g. (2021) Stacking Sequence, Interlayer Bonding, Termination Group Stability and Li/Na/Mg Diffusion in MXenes. ACS Materials Letters. volum 3 (9).
- Hashemi, Sayed Ebrahim; Lien, Kristian Myklebust; Hillestad, Magne; Schnell, Sondre Kvalvåg; Austbø, Bjørn. (2021) Thermodynamic Insight in Design of Methanation Reactor with Water Removal Considering Nexus between CO2 Conversion and Irreversibilities. Energies. volum 14 (23).
- Rauter, Michael Tobias; Schnell, Sondre K.; Kjelstrup, Signe. (2021) Cassie-Baxter and Wenzel States and the Effect of Interfaces on Transport Properties across Membranes. Journal of Physical Chemistry B.
- Rauter, Michael Tobias; Schnell, Sondre Kvalvåg; Hafskjold, Bjørn; Kjelstrup, Signe Helene. (2021) Thermo-osmotic pressure and resistance to mass transport in a vapor-gap membrane. Physical Chemistry, Chemical Physics - PCCP. volum 23.
- Røe, Ingeborg Treu; Schnell, Sondre Kvalvåg. (2021) Slow surface diffusion on Cu substrates in Li metal batteries. Journal of Materials Chemistry A. volum 9 (17).
- Strøm, Bjørn André; Bedeaux, Dick; Schnell, Sondre Kvalvåg. (2021) Adsorption of an Ideal Gas on a Small Spherical Adsorbent. Nanomaterials. volum 11 (2).
2020
- Dawass, Noura; Krüger, Peter; Schnell, Sondre Kvalvåg; Moultos, Othonas A.; Economou, Ioannis; Vlugt, Thijs J.H.; Simon, Jean-Marc. (2020) Kirkwood–Buff Integrals Using Molecular Simulation: Estimation of Surface Effects. Nanomaterials.
- Hashemi, Sayed Ebrahim; Lien, Kristian Myklebust; Schnell, Sondre Kvalvåg; Austbø, Bjørn. (2020) Thermodynamic analysis of different methanation reactors for biogas upgrading. Computer-aided chemical engineering. volum 48.
- Kaland, Henning; Hadler-Jacobsen, Jacob; Fagerli, Frode Håskjold; Wagner, Nils Peter; Schnell, Sondre Kvalvåg; Wiik, Kjell. (2020) Dipentamethylene thiuram tetrasulfide-based cathodes for rechargeable magnesium batteries. ACS Applied Energy Materials. volum 3.
- Kaland, Henning; Hadler-Jacobsen, Jacob; Fagerli, Frode Håskjold; Wagner, Nils Peter; Wang, Zhaohui; Selbach, Sverre Magnus; Vullum-Bruer, Fride; Wiik, Kjell; Schnell, Sondre Kvalvåg. (2020) Are MXenes Suitable as Cathode Materials for Rechargeable Mg Batteries?. Sustainable Energy & Fuels. volum 4 (6).
- Rauter, Michael Tobias; Galteland, Olav; Erdos, Mate; Moultos, Othonas A.; Vlugt, Thijs J.H.; Schnell, Sondre Kvalvåg; Bedeaux, Dick; Kjelstrup, Signe. (2020) Two-Phase Equilibrium Conditions in Nanopores. Nanomaterials. volum 10 (4).
- Røe, Ingeborg Treu; Selbach, Sverre Magnus; Schnell, Sondre Kvalvåg. (2020) Crystal Structure Influences Migration along Li and Mg Surfaces. The Journal of Physical Chemistry Letters. volum 11 (8).
2019
- Dawass, Noura; Krüger, Peter; Schnell, Sondre Kvalvåg; Simon, Jean-Marc; Vlugt, Thijs J.H.. (2019) Kirkwood-Buff integrals from molecular simulation. Fluid Phase Equilibria. volum 486.
- Hashemi, Sayed Ebrahim; Lien, Kristian Myklebust; Schnell, Sondre Kvalvåg; Austbø, Bjørn. (2019) Optimization of an absorption-based biogas upgrading and liquefaction process. Chemical Engineering Transactions. volum 76.
- Hashemi, Sayed Ebrahim; Sarker, Shiplu; Lien, Kristian Myklebust; Schnell, Sondre Kvalvåg; Austbø, Bjørn. (2019) Cryogenic vs. absorption biogas upgrading in liquefied biomethane production – An energy efficiency analysis. Fuel. volum 245.
- Vlaisavljevich, Bess; Schnell, Sondre Kvalvåg; Dzubak, Allison L.; Lee, Kyuho; Planas, Nora; Neaton, Jeffrey B.; Gagliardi, Laura; Smit, Berend. (2019) Correction: CO<inf>2</inf> induced phase transitions in diamine-appended metal-organic frameworks (Chemical Science (2015) 6 (5177-5185) DOI: 10.1039/c5sc01828e). Chemical Science. volum 10 (35).
2018
- Dawass, Noura; Kruger, Pieter; Schnell, Sondre Kvalvåg; Bedeaux, Dick; Kjelstrup, Signe; Simon, Jean Marc; Vlugt, Thijs. (2018) Finite-size effects of Kirkwood–Buff integrals from molecular simulations. Molecular Simulation. volum 44 (7).
2017
- Strøm, Bjørn; Simon, Jean-Marc; Schnell, Sondre Kvalvåg; Kjelstrup, Signe; He, Jianying; Bedeaux, Dick. (2017) Size and shape effects on the thermodynamic properties of nanoscale volumes of water. Physical Chemistry, Chemical Physics - PCCP. volum 19 (13).
- Witherspoon, Velencia J.; Yu, Lucy M.; Jawahery, Sudi; Braun, Efrem; Moosavi, Seyed Mohamad; Schnell, Sondre Kvalvåg; Smit, Berend; Reimer, Jeffrey A.. (2017) Translational and Rotational Motion of C8 Aromatics Adsorbed in Isotropic Porous Media (MOF-5): NMR Studies and MD Simulations. Journal of Physical Chemistry C. volum 121 (28).
2016
- Braun, Efrem; Zurhelle, Alexander; Thijssen, Wouter; Schnell, Sondre Kvalvåg; Lin, Li-Chiang; Kim, Jihan; Thompson, Joshua; Smit, Berend. (2016) High-throughput computational screening of nanoporous adsorbents for CO 2 capture from natural gas. Molecular Systems Design & Engineering. volum 1.
- Kjelstrup, Signe Helene; Skorpa, Ragnhild; Schnell, Sondre Kvalvåg; Bedeaux, Dick. (2016) Computing properties of the hydrogen dissociation reaction in and away from equilibrium. Molecular Simulation. volum 42 (16).
2015
- Braun, Efrem; Chen, Joseph J.; Schnell, Sondre Kvalvåg; Lin, Li-Chiang; Reimer, Jeffrey A.; Smit, Berend. (2015) Nanoporous materials can tune the critical point of a pure substance. Angewandte Chemie International Edition. volum 54 (48).
- Brunchi, Cristian C.; Englebienne, Pablo; Kramer, Herman J. M.; Schnell, Sondre Kvalvåg; Vlugt, Thijs J.H.. (2015) Evaluating adsorbed-phase activity coefficient models using a 2D-lattice model. Molecular Simulation. volum 41 (15).
- McDonald, Thomas M.; Mason, Jarad A.; Kong, Xueqian; Bloch, Eric D.; Gygi, David; Dani, Alessandro; Crocella, Valentina; Giordanino, Filippo; Odoh, Samuel O.; Drisdell, Walter S.; Vlaisavljevich, Bess; Dzubak, Allison L.; Poloni, Roberta; Schnell, Sondre Kvalvåg; Planas, Nora; Lee, Kyuho; Pascal, Tod; Wan, Liwen F.; Prendergast, David; Neaton, Jeffrey B.; Smit, Berend; Kortright, Jeffrey B.; Gagliardi, Laura; Bordiga, Silvia; Reimer, Jeffrey A.; Long, Jeffrey R.. (2015) Cooperative insertion of CO2 in diamine-appended metal-organic frameworks. Nature. volum 519 (7543).
- Simon, Cory M.; Mercado, Rocio; Schnell, Sondre Kvalvåg; Smit, Berend; Haranczyk, Maciej. (2015) What Are the Best Materials To Separate a Xenon/Krypton Mixture?. Chemistry of Materials. volum 27 (12).
- Vlaisavljevich, Bess; Odoh, Samuel O.; Schnell, Sondre Kvalvåg; Dzubak, Allison L.; Lee, Kyuho; Planas, Nora; Neaton, Jeffrey B.; Gagliardi, Laura; Smit, Berend. (2015) CO2 induced phase transitions in diamine-appended metal-organic frameworks. Chemical Science. volum 6 (9).
2014
- Schnell, Sondre Kvalvåg; Skorpa, Ragnhild; Bedeaux, Dick; Kjelstrup, Signe; Vlugt, Thijs J.H.; Simon, Jean-Marc. (2014) Partial molar enthalpies and reaction enthalpies from equilibrium molecular dynamics simulation. Journal of Chemical Physics. volum 141 (14).
2013
- Krüger, Peter; Schnell, Sondre Kvalvåg; Bedeaux, Dick; Kjelstrup, Signe; Vlugt, Thijs; Simon, Jean-Marc. (2013) Kirkwood-Buff Integrals for Finite Volumes. The Journal of Physical Chemistry Letters. volum 4 (2).
2012
- Liu, Xin; Martin-Calvo, Ana; McGarrity, Erin; Schnell, Sondre Kvalvåg; Calero, S; Simon, Jean-Marc; Bedeaux, Dick; Kjelstrup, Signe; Bardow, Andrew; Vlugt, Thijs. (2012) Fick Diffusion Coefficients in Ternary Liquid Systems from Equilibrium Molecular Dynamics Simulations. Industrial & Engineering Chemistry Research. volum 51 (30).
- Skorpa, Ragnhild; Voldsund, Mari; Takla, Marit; Schnell, Sondre Kvalvåg; Bedeaux, Dick; Kjelstrup, Signe. (2012) Assessing the coupled heat and mass transport of hydrogen through a palladium membrane. Journal of Membrane Science. volum 394-395.
2011
- Garcia-Perez, E; Schnell, Sondre Kvalvåg; Castillo, JM; Calero, S; Kjelstrup, Signe; Dubbeldam, D; Vlugt, Thijs. (2011) External Surface Adsorption on Silicalite-1 Zeolite Studied by Molecular Simulation. Journal of Physical Chemistry C. volum 115 (31).
- Schnell, Sondre Kvalvåg; Liu, Xin; Simon, Jean-Marc; Bardow, Andrew; Bedeaux, Dick; Vlugt, Thijs; Kjelstrup, Signe. (2011) Calculating Thermodynamic Properties from Fluctuations at Small Scales. Journal of Physical Chemistry B. volum 115 (37).
Tidsskriftspublikasjoner
- Bråten, Vilde; Zhang, Daniel Tianhou; Hammer, Morten; Aasen, Ailo; Schnell, Sondre Kvalvåg; Wilhelmsen, Øivind. (2022) Equation of state for confined fluids. Journal of Chemical Physics. volum 156 (24).
- Hadler-Jacobsen, Jacob; Schnell, Sondre Kvalvåg. (2022) The Importance of Stacking and Coordination for Li, Na, and Mg Diffusion and Intercalation in Ti<inf>3</inf>C<inf>2</inf>T<inf>2</inf> MXene. Advanced Materials Interfaces. volum 9 (17).
- Røe, Ingeborg Treu; Schnell, Sondre Kvalvåg. (2022) Local surface crystal structure fluctuation on Li, Na and Mg metal anodes. Molecular Physics.
- Bråten, Vilde; Bedeaux, Dick; Wilhelmsen, Øivind; Schnell, Sondre Kvalvåg. (2021) Small Size Effects in Open and Closed Systems: What Can We Learn from Ideal Gases about Systems with Interacting Particles?. Journal of Chemical Physics. volum 155 (24).
- Bråten, Vilde; Wilhelmsen, Øivind; Schnell, Sondre Kvalvåg. (2021) Chemical Potential Differences in the Macroscopic Limit from Fluctuations in Small Systems. Journal of Chemical Information and Modeling. volum 61 (2).
- Hadler-Jacobsen, Jacob; Fagerli, Frode Håskjold; Kaland, Henning; Schnell, Sondre KvalvÃ¥g. (2021) Stacking Sequence, Interlayer Bonding, Termination Group Stability and Li/Na/Mg Diffusion in MXenes. ACS Materials Letters. volum 3 (9).
- Hashemi, Sayed Ebrahim; Lien, Kristian Myklebust; Hillestad, Magne; Schnell, Sondre Kvalvåg; Austbø, Bjørn. (2021) Thermodynamic Insight in Design of Methanation Reactor with Water Removal Considering Nexus between CO2 Conversion and Irreversibilities. Energies. volum 14 (23).
- Rauter, Michael Tobias; Schnell, Sondre K.; Kjelstrup, Signe. (2021) Cassie-Baxter and Wenzel States and the Effect of Interfaces on Transport Properties across Membranes. Journal of Physical Chemistry B.
- Rauter, Michael Tobias; Schnell, Sondre Kvalvåg; Hafskjold, Bjørn; Kjelstrup, Signe Helene. (2021) Thermo-osmotic pressure and resistance to mass transport in a vapor-gap membrane. Physical Chemistry, Chemical Physics - PCCP. volum 23.
- Røe, Ingeborg Treu; Schnell, Sondre Kvalvåg. (2021) Slow surface diffusion on Cu substrates in Li metal batteries. Journal of Materials Chemistry A. volum 9 (17).
- Strøm, Bjørn André; Bedeaux, Dick; Schnell, Sondre Kvalvåg. (2021) Adsorption of an Ideal Gas on a Small Spherical Adsorbent. Nanomaterials. volum 11 (2).
- Dawass, Noura; Krüger, Peter; Schnell, Sondre Kvalvåg; Moultos, Othonas A.; Economou, Ioannis; Vlugt, Thijs J.H.; Simon, Jean-Marc. (2020) Kirkwood–Buff Integrals Using Molecular Simulation: Estimation of Surface Effects. Nanomaterials.
- Hashemi, Sayed Ebrahim; Lien, Kristian Myklebust; Schnell, Sondre Kvalvåg; Austbø, Bjørn. (2020) Thermodynamic analysis of different methanation reactors for biogas upgrading. Computer-aided chemical engineering. volum 48.
- Kaland, Henning; Hadler-Jacobsen, Jacob; Fagerli, Frode Håskjold; Wagner, Nils Peter; Schnell, Sondre Kvalvåg; Wiik, Kjell. (2020) Dipentamethylene thiuram tetrasulfide-based cathodes for rechargeable magnesium batteries. ACS Applied Energy Materials. volum 3.
- Kaland, Henning; Hadler-Jacobsen, Jacob; Fagerli, Frode Håskjold; Wagner, Nils Peter; Wang, Zhaohui; Selbach, Sverre Magnus; Vullum-Bruer, Fride; Wiik, Kjell; Schnell, Sondre Kvalvåg. (2020) Are MXenes Suitable as Cathode Materials for Rechargeable Mg Batteries?. Sustainable Energy & Fuels. volum 4 (6).
- Rauter, Michael Tobias; Galteland, Olav; Erdos, Mate; Moultos, Othonas A.; Vlugt, Thijs J.H.; Schnell, Sondre Kvalvåg; Bedeaux, Dick; Kjelstrup, Signe. (2020) Two-Phase Equilibrium Conditions in Nanopores. Nanomaterials. volum 10 (4).
- Røe, Ingeborg Treu; Selbach, Sverre Magnus; Schnell, Sondre Kvalvåg. (2020) Crystal Structure Influences Migration along Li and Mg Surfaces. The Journal of Physical Chemistry Letters. volum 11 (8).
- Dawass, Noura; Krüger, Peter; Schnell, Sondre Kvalvåg; Simon, Jean-Marc; Vlugt, Thijs J.H.. (2019) Kirkwood-Buff integrals from molecular simulation. Fluid Phase Equilibria. volum 486.
- Hashemi, Sayed Ebrahim; Lien, Kristian Myklebust; Schnell, Sondre Kvalvåg; Austbø, Bjørn. (2019) Optimization of an absorption-based biogas upgrading and liquefaction process. Chemical Engineering Transactions. volum 76.
- Hashemi, Sayed Ebrahim; Sarker, Shiplu; Lien, Kristian Myklebust; Schnell, Sondre Kvalvåg; Austbø, Bjørn. (2019) Cryogenic vs. absorption biogas upgrading in liquefied biomethane production – An energy efficiency analysis. Fuel. volum 245.
- Vlaisavljevich, Bess; Schnell, Sondre Kvalvåg; Dzubak, Allison L.; Lee, Kyuho; Planas, Nora; Neaton, Jeffrey B.; Gagliardi, Laura; Smit, Berend. (2019) Correction: CO<inf>2</inf> induced phase transitions in diamine-appended metal-organic frameworks (Chemical Science (2015) 6 (5177-5185) DOI: 10.1039/c5sc01828e). Chemical Science. volum 10 (35).
- Dawass, Noura; Kruger, Pieter; Schnell, Sondre Kvalvåg; Bedeaux, Dick; Kjelstrup, Signe; Simon, Jean Marc; Vlugt, Thijs. (2018) Finite-size effects of Kirkwood–Buff integrals from molecular simulations. Molecular Simulation. volum 44 (7).
- Strøm, Bjørn; Simon, Jean-Marc; Schnell, Sondre Kvalvåg; Kjelstrup, Signe; He, Jianying; Bedeaux, Dick. (2017) Size and shape effects on the thermodynamic properties of nanoscale volumes of water. Physical Chemistry, Chemical Physics - PCCP. volum 19 (13).
- Witherspoon, Velencia J.; Yu, Lucy M.; Jawahery, Sudi; Braun, Efrem; Moosavi, Seyed Mohamad; Schnell, Sondre Kvalvåg; Smit, Berend; Reimer, Jeffrey A.. (2017) Translational and Rotational Motion of C8 Aromatics Adsorbed in Isotropic Porous Media (MOF-5): NMR Studies and MD Simulations. Journal of Physical Chemistry C. volum 121 (28).
- Braun, Efrem; Zurhelle, Alexander; Thijssen, Wouter; Schnell, Sondre Kvalvåg; Lin, Li-Chiang; Kim, Jihan; Thompson, Joshua; Smit, Berend. (2016) High-throughput computational screening of nanoporous adsorbents for CO 2 capture from natural gas. Molecular Systems Design & Engineering. volum 1.
- Kjelstrup, Signe Helene; Skorpa, Ragnhild; Schnell, Sondre Kvalvåg; Bedeaux, Dick. (2016) Computing properties of the hydrogen dissociation reaction in and away from equilibrium. Molecular Simulation. volum 42 (16).
- Braun, Efrem; Chen, Joseph J.; Schnell, Sondre Kvalvåg; Lin, Li-Chiang; Reimer, Jeffrey A.; Smit, Berend. (2015) Nanoporous materials can tune the critical point of a pure substance. Angewandte Chemie International Edition. volum 54 (48).
- Brunchi, Cristian C.; Englebienne, Pablo; Kramer, Herman J. M.; Schnell, Sondre Kvalvåg; Vlugt, Thijs J.H.. (2015) Evaluating adsorbed-phase activity coefficient models using a 2D-lattice model. Molecular Simulation. volum 41 (15).
- McDonald, Thomas M.; Mason, Jarad A.; Kong, Xueqian; Bloch, Eric D.; Gygi, David; Dani, Alessandro; Crocella, Valentina; Giordanino, Filippo; Odoh, Samuel O.; Drisdell, Walter S.; Vlaisavljevich, Bess; Dzubak, Allison L.; Poloni, Roberta; Schnell, Sondre Kvalvåg; Planas, Nora; Lee, Kyuho; Pascal, Tod; Wan, Liwen F.; Prendergast, David; Neaton, Jeffrey B.; Smit, Berend; Kortright, Jeffrey B.; Gagliardi, Laura; Bordiga, Silvia; Reimer, Jeffrey A.; Long, Jeffrey R.. (2015) Cooperative insertion of CO2 in diamine-appended metal-organic frameworks. Nature. volum 519 (7543).
- Simon, Cory M.; Mercado, Rocio; Schnell, Sondre Kvalvåg; Smit, Berend; Haranczyk, Maciej. (2015) What Are the Best Materials To Separate a Xenon/Krypton Mixture?. Chemistry of Materials. volum 27 (12).
- Vlaisavljevich, Bess; Odoh, Samuel O.; Schnell, Sondre Kvalvåg; Dzubak, Allison L.; Lee, Kyuho; Planas, Nora; Neaton, Jeffrey B.; Gagliardi, Laura; Smit, Berend. (2015) CO2 induced phase transitions in diamine-appended metal-organic frameworks. Chemical Science. volum 6 (9).
- Schnell, Sondre Kvalvåg; Skorpa, Ragnhild; Bedeaux, Dick; Kjelstrup, Signe; Vlugt, Thijs J.H.; Simon, Jean-Marc. (2014) Partial molar enthalpies and reaction enthalpies from equilibrium molecular dynamics simulation. Journal of Chemical Physics. volum 141 (14).
- Krüger, Peter; Schnell, Sondre Kvalvåg; Bedeaux, Dick; Kjelstrup, Signe; Vlugt, Thijs; Simon, Jean-Marc. (2013) Kirkwood-Buff Integrals for Finite Volumes. The Journal of Physical Chemistry Letters. volum 4 (2).
- Liu, Xin; Martin-Calvo, Ana; McGarrity, Erin; Schnell, Sondre Kvalvåg; Calero, S; Simon, Jean-Marc; Bedeaux, Dick; Kjelstrup, Signe; Bardow, Andrew; Vlugt, Thijs. (2012) Fick Diffusion Coefficients in Ternary Liquid Systems from Equilibrium Molecular Dynamics Simulations. Industrial & Engineering Chemistry Research. volum 51 (30).
- Skorpa, Ragnhild; Voldsund, Mari; Takla, Marit; Schnell, Sondre Kvalvåg; Bedeaux, Dick; Kjelstrup, Signe. (2012) Assessing the coupled heat and mass transport of hydrogen through a palladium membrane. Journal of Membrane Science. volum 394-395.
- Garcia-Perez, E; Schnell, Sondre Kvalvåg; Castillo, JM; Calero, S; Kjelstrup, Signe; Dubbeldam, D; Vlugt, Thijs. (2011) External Surface Adsorption on Silicalite-1 Zeolite Studied by Molecular Simulation. Journal of Physical Chemistry C. volum 115 (31).
- Schnell, Sondre Kvalvåg; Liu, Xin; Simon, Jean-Marc; Bardow, Andrew; Bedeaux, Dick; Vlugt, Thijs; Kjelstrup, Signe. (2011) Calculating Thermodynamic Properties from Fluctuations at Small Scales. Journal of Physical Chemistry B. volum 115 (37).