Thijs J. H. Vlugt: search on Z-Library

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51

Shape selectivity through entropy

Merijn Schenk, Sofia Calero, Theo L.M Maesen, Thijs J.H Vlugt, Lucas L van Benthem, Martijn G Verbeek, Benoit Schnell, Berend Smit

Journal:

Journal of Catalysis

Year:

2003

Language:

english

File:

PDF, 397 KB

english, 2003

52

Morphological Transformations and Fusion of PbSe Nanocrystals Studied Using Atomistic Simulations

Schapotschnikow, Philipp, van Huis, Marijn A., Zandbergen, Henny W., Vanmaekelbergh, Daniël, Vlugt, Thijs J. H.

Journal:

Year:

2010

Language:

english

File:

PDF, 372 KB

english, 2010

53

On the Mechanism Behind the Instability of Isoreticular Metal–Organic Frameworks (IRMOFs) in Humid Environments

Dr. Luca Bellarosa, Dr. Juan Manuel Castillo, Prof. Thijs Vlugt, Dr. Sofía Calero, Prof. Núria López

Journal:

Chemistry - A European Journal

Year:

2012

Language:

english

File:

PDF, 2.00 MB

english, 2012

54

Determining Force Field Parameters Using a Physically Based Equation of State

van Westen, Thijs, Vlugt, Thijs J. H., Gross, Joachim

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 1.31 MB

english, 2011

55

Simulating the Effect of Nonframework Cations on the Adsorption of Alkanes in MFI-type Zeolites

Beerdsen, Edith, Dubbeldam, David, Smit, Berend, Vlugt, Thijs J. H., Calero, Sofía

Journal:

Journal of Physical Chemistry B

Year:

2003

Language:

english

File:

PDF, 611 KB

english, 2003

56

Understanding the Role of Sodium during Adsorption: A Force Field for Alkanes in Sodium-Exchanged Faujasites

Calero, Sofía, Dubbeldam, David, Krishna, Rajamani, Smit, Berend, Vlugt, Thijs J. H., Denayer, Joeri F. M., Martens, Johan A., Maesen, Theo L. M.

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 708 KB

english, 2004

57

Adsorption and Binding of Ligands to CdSe Nanocrystals

Schapotschnikow, Philipp, Hommersom, Bob, Vlugt, Thijs J. H.

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 403 KB

english, 2009

58

External Surface Adsorption on Silicalite-1 Zeolite Studied by Molecular Simulation

García-Pérez, Elena, Schnell, Sondre K., Castillo, Juan M., Calero, Sofia, Kjelstrup, Signe, Dubbeldam, David, Vlugt, Thijs J. H.

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 3.43 MB

english, 2011

59

Simulation Study on the Adsorption Properties of Linear Alkanes on Closed Nanotube Bundles

Cannon, James J., Vlugt, Thijs J. H., Dubbeldam, David, Maruyama, Shigeo, Shiomi, Junichiro

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 488 KB

english, 2012

60

Force Network Ensemble: A New Approach to Static Granular Matter

Snoeijer, Jacco H., Vlugt, Thijs J. H., van Hecke, Martin, van Saarloos, Wim

Journal:

Physical Review Letters

Year:

2004

Language:

english

File:

PDF, 236 KB

english, 2004

61

Understanding Water Adsorption in Cu−BTC Metal−Organic Frameworks

Castillo, Juan Manuel, Vlugt, Thijs J. H., Calero, Sofía

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 1.58 MB

english, 2008

62

Measurement of chemical potentials of systems with strong excluded volume interactions by computing the density of states

VLUGT, THIJS J. H.

Journal:

Molecular Physics

Year:

2002

Language:

english

File:

PDF, 770 KB

english, 2002

63

Diffusion of isobutane in silicalite studied by transition path sampling

Vlugt, Thijs J. H., Dellago, Christoph, Smit, Berend

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 644 KB

english, 2000

64

Understanding Adsorption of Highly Polar Vapors on Mesoporous MIL-100(Cr) and MIL-101(Cr): Experiments and Molecular Simulations

De Lange, Martijn F., Gutierrez-Sevillano, Juan-Jose, Hamad, Said, Vlugt, Thijs J. H., Calero, Sofia, Gascon, Jorge, Kapteijn, Freek

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 3.39 MB

english, 2013

65

Solubility of CO 2 in the Ionic Liquids [TBMN][MeSO 4 ] and [TBMP][MeSO 4 ]

Ramdin, Mahinder, Vlugt, Thijs J. H., de Loos, Theo W.

Journal:

Journal of Chemical & Engineering Data

Year:

2012

Language:

english

File:

PDF, 541 KB

english, 2012

66

Phase Behavior of Liquid Crystals with CO 2

de Groen, Mariëtte, Vlugt, Thijs J. H., de Loos, Theo W.

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 749 KB

english, 2012

67

Phase behaviour of the system 4′-pentyloxy-4-cyanobiphenyl+CO2

de Groen, Mariëtte, Matsuda, Hiroyuki, Vlugt, Thijs J.H., de Loos, Theo W.

Journal:

The Journal of Chemical Thermodynamics

Year:

2013

Language:

english

File:

PDF, 766 KB

english, 2013

68

Calculating Thermodynamic Properties from Fluctuations at Small Scales

Schnell, Sondre K., Liu, Xin, Simon, Jean-Marc, Bardow, André, Bedeaux, Dick, Vlugt, Thijs J. H., Kjelstrup, Signe

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 4.54 MB

english, 2011

69

From Sphere to Multipod: Thermally Induced Transitions of CdSe Nanocrystals Studied by Molecular Dynamics Simulations

Fan, Zhaochuan, Yalcin, Anil O., Tichelaar, Frans D., Zandbergen, Henny W., Talgorn, Elise, Houtepen, Arjan J., Vlugt, Thijs J. H., van Huis, Marijn A.

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 1.60 MB

english, 2013

70

Conceptual Design of a Novel CO 2 Capture Process Based on Precipitating Amino Acid Solvents

Sanchez Fernandez, Eva, Heffernan, Katarzyna, van der Ham, Leen V., Linders, Marco J. G., Eggink, Emma, Schrama, Frank N. H., Brilman, D. W. F., Goetheer, Earl L. V., Vlugt, Thijs J. H.

Journal:

Industrial & Engineering Chemistry Research

Year:

2013

Language:

english

File:

PDF, 2.05 MB

english, 2013

71

The isotropic-nematic phase transition of tangent hard-sphere chain fluids—Pure components

van Westen, Thijs, Oyarzún, Bernardo, Vlugt, Thijs J. H., Gross, Joachim

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 937 KB

english, 2013

72

Molecular Simulations of Interacting Nanocrystals

Schapotschnikow, Philipp, Pool, René, Vlugt, Thijs J. H.

Journal:

Year:

2008

Language:

english

File:

PDF, 356 KB

english, 2008

73

Thermal Conductivity in Zeolites Studied by Non-equilibrium Molecular Dynamics Simulations

Sondre K. Schnell, Thijs J. H. Vlugt

Journal:

International Journal of Thermophysics

Year:

2013

Language:

english

File:

PDF, 603 KB

english, 2013

74

Coarse-grained model for gold nanocrystals with an organic capping layer

Schapotschnikow, Philipp, Pool, René, Vlugt, Thijs J. H.

Journal:

Molecular Physics

Year:

2007

Language:

english

File:

PDF, 579 KB

english, 2007

75

Fick Diffusion Coefficients in Ternary Liquid Systems from Equilibrium Molecular Dynamics Simulations

Liu, Xin, Martín-Calvo, Ana, McGarrity, Erin, Schnell, Sondre K., Calero, Sofía, Simon, Jean-Marc, Bedeaux, Dick, Kjelstrup, Signe, Bardow, André, Vlugt, Thijs J. H.

Journal:

Industrial & Engineering Chemistry Research

Year:

2012

Language:

english

File:

PDF, 2.05 MB

english, 2012

76

Adsorption and Diffusion of Water, Methanol, and Ethanol in All-Silica DD3R: Experiments and Simulation

Kuhn, Jelan, Castillo-Sanchez, Juan Manuel, Gascon, Jorge, Calero, Sofia, Dubbeldam, David, Vlugt, Thijs J. H., Kapteijn, Freek, Gross, Joachim

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 1.76 MB

english, 2009

77

Adsorption of Argon on MFI Nanosheets: Experiments and Simulations

Schnell, Sondre K., Wu, Leilei, Koekkoek, Arjan J. J., Kjelstrup, Signe, Hensen, Emiel J. M., Vlugt, Thijs J. H.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 2.88 MB

english, 2013

78

Strategies to Simultaneously Enhance the Hydrostability and the Alcohol–Water Separation Behavior of Cu-BTC

Gutiérrez-Sevillano, Juan J., Dubbeldam, David, Bellarosa, Luca, López, Nuria, Liu, Xin, Vlugt, Thijs J. H., Calero, Sofía

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 4.93 MB

english, 2013

79

CO 2 Solubility in Biodegradable Hydroxylammonium-Based Ionic Liquids

Bazhenov, Stepan, Ramdin, Mahinder, Volkov, Alexey, Volkov, Vladimir, Vlugt, Thijs J. H., de Loos, Theo W.

Journal:

Journal of Chemical & Engineering Data

Year:

2014

Language:

english

File:

PDF, 422 KB

english, 2014

80

New Ab Initio Based Pair Potential for Accurate Simulation of Phase Transitions in ZnO

Wang, Shuaiwei, Fan, Zhaochuan, Koster, Rik S., Fang, Changming, van Huis, Marijn A., Yalcin, Anil O., Tichelaar, Frans D., Zandbergen, Henny W., Vlugt, Thijs J. H.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 3.18 MB

english, 2014

81

Molecular Simulation of Propane−Propylene Binary Adsorption Equilibrium in Zeolite 13X

Granato, Miguel A., Vlugt, Thijs J. H., Rodrigues, Alírio E.

Journal:

Industrial & Engineering Chemistry Research

Year:

2007

Language:

english

File:

PDF, 107 KB

english, 2007

82

How to apply the Kirkwood–Buff theory to individual species in salt solutions

Schnell, Sondre K., Englebienne, Pablo, Simon, Jean-Marc, Krüger, Peter, Balaji, Sayee P., Kjelstrup, Signe, Bedeaux, Dick, Bardow, André, Vlugt, Thijs J.H.

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 430 KB

english, 2013

83

Investigation of aerosol based emission of MEA due to sulphuric acid aerosol and soot in a Post Combustion CO2 Capture process

Khakharia, Purvil, Brachert, Leonie, Mertens, Jan, Huizinga, Arjen, Schallert, Bernd, Schaber, Karlheinz, Vlugt, Thijs J.H., Goetheer, Earl

Journal:

International Journal of Greenhouse Gas Control

Year:

2013

Language:

english

File:

PDF, 1.31 MB

english, 2013

84

Transferable Force Field for Carbon Dioxide Adsorption in Zeolites

García-Sánchez, Almudena, Ania, Conchi O., Parra, José B., Dubbeldam, David, Vlugt, Thijs J. H., Krishna, Rajamani, Calero, Sofía

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 4.13 MB

english, 2009

85

Analysis of Process Configurations for CO 2 Capture by Precipitating Amino Acid Solvents

Sanchez-Fernandez, Eva, Heffernan, Katarzyna, van der Ham, Leen, Linders, Marco J. G., Brilman, D. W. F., Goetheer, Earl L. V., Vlugt, Thijs J. H.

Journal:

Industrial & Engineering Chemistry Research

Year:

2014

Language:

english

File:

PDF, 606 KB

english, 2014

86

A Comparison of Advanced Monte Carlo Methods for Open Systems: CFCMC vs CBMC

Torres-Knoop, Ariana, Balaji, Sayee Prasaad, Vlugt, Thijs J. H., Dubbeldam, David

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 2.63 MB

english, 2014

87

Predictive Darken Equation for Maxwell-Stefan Diffusivities in Multicomponent Mixtures

Liu, Xin, Vlugt, Thijs J.H., Bardow, André

Journal:

Industrial & Engineering Chemistry Research

Year:

2011

Language:

english

File:

PDF, 1.55 MB

english, 2011

88

Multicomponent Maxwell−Stefan Diffusivities at Infinite Dilution

Liu, Xin, Bardow, André, Vlugt, Thijs J. H.

Journal:

Industrial & Engineering Chemistry Research

Year:

2011

Language:

english

File:

PDF, 812 KB

english, 2011

89

Maxwell–Stefan Diffusivities in Binary Mixtures of Ionic Liquids with Dimethyl Sulfoxide (DMSO) and H 2 O

Liu, Xin, Vlugt, Thijs J. H., Bardow, André

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 3.64 MB

english, 2011

90

Stress fluctuations in granular force networks

Tighe, Brian P, Vlugt, Thijs J H

Journal:

Journal of Statistical Mechanics Theory and Experiment

Year:

2011

Language:

english

File:

PDF, 847 KB

english, 2011

91

Potential Desorbents for Propane/Propylene Separation by Gas Phase Simulated Moving Bed: A Molecular Simulation Study

Granato, Miguel A., Vlugt, Thijs J. H., Rodrigues, Alírio E.

Journal:

Industrial & Engineering Chemistry Research

Year:

2010

Language:

english

File:

PDF, 374 KB

english, 2010

92

Simulation of Alkane Adsorption in the Aluminophosphate Molecular Sieve AlPO 4 −5

Maris, Thierry, Vlugt, Thijs J. H., Smit, Berend

Journal:

Journal of Physical Chemistry B

Year:

1998

Language:

english

File:

PDF, 394 KB

english, 1998

93

Soft Hedgehogs on Coarse Carpets: A Molecular Simulation Study of Capped Nanocrystals Interacting with Self-Assembled Monolayers of Alkylthiols on a Gold (111) Surface

Schapotschnikow, Philipp, Vlugt, Thijs J. H.

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 2.50 MB

english, 2010

94

Phase Behavior of Liquid Crystal + CO 2 Mixtures

de Groen, Mariëtte, Ramaker, Bo C., Vlugt, Thijs J. H., de Loos, Theo W.

Journal:

Journal of Chemical & Engineering Data

Year:

2014

Language:

english

File:

PDF, 556 KB

english, 2014

95

Influence of Framework Flexibility on the Adsorption Properties of Hydrocarbons in the Zeolite Silicalite

Vlugt, Thijs J. H., Schenk, Merijn

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 159 KB

english, 2002

96

Efficiency of Parallel CBMC Simulations

Vlugt, Thijs J. H.

Journal:

Molecular Simulation

Year:

1999

Language:

english

File:

PDF, 674 KB

english, 1999

97

Enantioselective adsorption of ibuprofen and lysine in metal–organic frameworks

Bueno-Perez, Rocio, Martin-Calvo, Ana, Gómez-Álvarez, Paula, Gutiérrez-Sevillano, Juan J., Merkling, Patrick J., Vlugt, Thijs J. H., van Erp, Titus S., Dubbeldam, David, Calero, Sofia

Journal:

Chemical Communications

Year:

2014

Language:

english

File:

PDF, 1.76 MB

english, 2014

98

Solubility of the Precombustion Gases CO 2 , CH 4 , CO, H 2 , N 2 , and H 2 S in the Ionic Liquid [bmim][Tf 2 N] from Monte Carlo Simulations

Ramdin, Mahinder, Balaji, Sayee Prasaad, Vicent-Luna, José Manuel, Gutiérrez-Sevillano, Juan José, Calero, Sofía, de Loos, Theo W., Vlugt, Thijs J. H.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 300 KB

english, 2014

99

Molecular Simulation of Propane−Propylene Binary Adsorption Equilibrium in Zeolite 4A

Granato, Miguel A., Vlugt, Thijs J. H., Rodrigues, Alírio E.

Journal:

Industrial & Engineering Chemistry Research

Year:

2007

Language:

english

File:

PDF, 402 KB

english, 2007

100

Adsorption of Volatile Organic Compounds. Experimental and Theoretical Study

Brunchi, Cristian C., Castillo Sanchez, Juan Manuel, Stankiewicz, Andrzej I., Kramer, Herman J. M., Vlugt, Thijs J. H.

Journal:

Industrial & Engineering Chemistry Research

Year:

2012

Language:

english

File:

PDF, 1.78 MB

english, 2012