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D

David Dubbeldam

university of amsterdam

56H指数
214论文数
1.2W被引数
收录论文 98
发表时间
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Impact of flue-gas impurities and pelletization in TAMOF-1TAMOF-1中烟气杂质和造粒的影响
errChemical Engineering Journal
IF13.2
err2026-07-27
err0
errOAAI
errS. Gooijer; S. Capelo-Avilés; E. Acuna-Yeomans; S. Giancola; D. Dubbeldam; J.R. Galán-Mascaros; J.M. Vicent-Luna; S. Calero
err分享
err收藏
Predicting the Maximum Loading in Zeolites for Hydroisomerization Applications: A Machine Learning Approach预测沸石在加氢异构化应用中的最大负载：一种机器学习方法
errThe Journal of Physical Chemistry C
IF3.2
err2026-03-10
err0
PREAI
errEric Johnsson; Shrinjay Sharma; Arvind Gangoli Rao; David Dubbeldam; Sofia Calero; Thijs J. H. Vlugt
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err收藏
Matching pure and mixture isotherms using an invertible autoencoder使用可逆自编码器匹配纯组分和混合物等温线
errMOLECULAR PHYSICS
IF1.8
err2025-10-01
err0
PREAI
errRan, Y. A.; Calero, S.; Vlugt, T. J. H.; Dubbeldam, D.
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err收藏
Second-order group contribution method for Tc, Pc, ω, ΔGf0, ΔHf0 and liquid densities of linear and branched alkanes二阶基团贡献法用于线性烷烃和支链烷烃的临界温度（Tc）、临界压力（Pc）、偏心因子（ω）、标准生成吉布斯自由能（ΔGf0）、标准生成焓（ΔHf0）及液体密度
errMOLECULAR PHYSICS
IF1.8
err2025-10-01
err0
PREAI
errLi, Ziyan; Constantinou, Leonidas; Baur, Richard; Dubbeldam, David; Calero, Sofia; Sharma, Shrinjay; Rigutto, Marcello; Dey, Poulumi; Vlugt, Thijs J. H.
err分享
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Review of group contribution methods for prediction of thermodynamic properties of long-chain hydrocarbons长链烃热力学性质预测的群加和法综述
errMOLECULAR PHYSICS
IF1.8
err2025-09-01
err0
PREAI
errLi, Ziyan; Constantinou, Leonidas; Baur, Richard; Dubbeldam, David; Calero, Sofia; Sharma, Shrinjay; Rigutto, Marcello; Dey, Poulumi; Vlugt, Thijs J. H.
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The RASPA2024 workshop in Delft, The Netherlands荷兰代尔夫特RASPA2024研讨会
errMOLECULAR PHYSICS
IF1.8
err2025-09-01
err1
PREAI
errDubbeldam, David; Calero, Sofia; Snurr, Randall Q.; Vlugt, Thijs J. H.
err分享
err收藏
Machine Learning-Based Predictions of Henry Coefficients for Long-Chain Alkanes in One-Dimensional Zeolites: Application to Hydroisomerization基于机器学习的长链烷烃在一维沸石中的亨利系数预测：在异构化反应中的应用
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2025-09-01
err0
PREAI
errSharma, Shrinjay; Yang, Ping; Liu, Yachan; Rossi, Kevin; Bai, Peng; Rigutto, Marcello S.; Zuidema, Erik; Agarwal, Umang; Baur, Richard; Calero, Sofia; Dubbeldam, David; Vlugt, Thijs J. H.
err分享
err收藏
TAMOF-1 for capture and separation of the main flue gas componentsTAMOF-1 用于捕集和分离主要烟气成分
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2025-01-01
err0
errOAAI
errGooijer, S.; Capelo-Aviles, S.; Sharma, S.; Giancola, S.; Galan-Mascaros, J. R.; Vlugt, T. J. H.; Dubbeldam, D.; Vicent-Luna, J. M.; Calero, S.
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Efficient Implementation of Monte Carlo Algorithms on Graphical Processing Units for Simulation of Adsorption in Porous Materials
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-11-19
err2
PREAI
errLi, Zhao; Shi, Kaihang; Dubbeldam, David; Dewing, Mark; Knight, Christopher; Vazquez-Mayagoitia, Alvaro; Snurr, Randall Q.
err分享
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RASPA3: A Monte Carlo code for computing adsorption and diffusion in nanoporous materials and thermodynamics properties of fluids
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-09-16
err3
errOAAI
errRan, Y. A.; Sharma, S.; Balestra, S. R. G.; Li, Z.; Calero, S.; Vlugt, T. J. H.; Snurr, R. Q.; Dubbeldam, D.
err分享
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The impact of metal centers in the M-MOF-74 series on carbon dioxide and hydrogen separation
errSEPARATION AND PURIFICATION TECHNOLOGY
IF9
err2024-07-01
err6
errOAAI
errWasik, Dominika O.; Vicent-Luna, Jose Manuel; Luna-Triguero, Azahara; Dubbeldam, David; Vlugt, Thijs J. H.; Calero, Sofia
err分享
err收藏
Understanding shape selectivity effects of hydroisomerization using a reaction equilibrium model
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-04
err2
errOAAI
errSharma, Shrinjay; Rigutto, Marcello S.; Zuidema, Erik; Agarwal, Umang; Baur, Richard; Dubbeldam, David; Vlugt, Thijs J. H.
err分享
err收藏
Effect of water loading on the stability of pristine and defective UiO-66
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2024-01-01
err0
errOAAI
errAcuna-Yeomans, E.; Goosen, P. J.; Gutierrez-Sevillano, J. J.; Dubbeldam, D.; Calero, S.
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Enhancement of formic acid production from carbon dioxide hydrogenation using metal-organic frameworks: Monte Carlo simulation study
errCHEMICAL ENGINEERING JOURNAL
IF13.2
err2023-07-01
err9
errOAAI
errWasik, Dominika O.; Martin-Calvo, Ana; Gutierrez-Sevillano, Juan Jose; Dubbeldam, David; Vlugt, Thijs J. H.; Calero, Sofia
err分享
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Kinetics of zeolite-catalyzed heptane hydroisomerization and hydrocracking with CBMC-modeled adsorption terms: Zeolite Beta as a large pore base case用CBMC模拟的吸附项进行沸石催化的庚烷加氢异构化和加氢裂化的动力学: 沸石 β 作为大孔基础案例
errJOURNAL OF CATALYSIS
IF6.5
err2022-11-01
err8
errOAAI
errAgarwal, Umang; Rigutto, Marcello S.; Zuidema, Erik; Jansen, A. P. J.; Poursaeidesfahani, Ali; Sharma, Shrinjay; Dubbeldam, David; Vlugt, Thijs J. H.
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Electro-osmotic Drag and Thermodynamic Properties of Water in Hydrated Nafion Membranes from Molecular Dynamics
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2022-05-03
err15
errOAAI
errRahbari, Ahmadreza; Hartkamp, Remco; Moultos, Othonas A.; Bos, Albert; van den Broeke, Leo J. P.; Ramdin, Mahinder; Dubbeldam, David; Lyulin, Alexey, V; Vlugt, Thijs J. H.
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The Influence of UiO-66 Metal-Organic Framework Structural Defects on Adsorption and Separation of Hexane IsomersUiO-66金属有机骨架结构缺陷对正己烷异构体吸附分离的影响
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2022-04-08
err4
errOAAI
errSlawek, Andrzej; Jajko, Gabriela; Ogorzaly, Karolina; Dubbeldam, David; Vlugt, Thijs J. H.; Makowski, Waclaw
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Modifying the hydrophobic nature of MAF-6
errSEPARATION AND PURIFICATION TECHNOLOGY
IF9
err2021-12-01
err2
errOAAI
errGutierrez-Sevillano, Juan Jose; Martin-Calvo, Ana; Dubbeldam, David; Calero, Sofia
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New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-08-12
err24
errOAAI
errPolat, H. Mert; Salehi, Hirad S.; Hens, Remco; Wasik, Dominika O.; Rahbari, Ahmadreza; de Meyer, Frederick; Houriez, Celine; Coquelet, Christophe; Calero, Sofia; Dubbeldam, David; Moultos, Othonas A.; Vlugt, Thijs J. H.
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Competitive Adsorption of Xylenes at Chemical Equilibrium in Zeolites
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2021-02-10
err14
errOAAI
errCaro-Ortiz, Sebastian; Zuidema, Erik; Rigutto, Marcello; Dubbeldam, David; Vlugt, Thijs J. H.
err分享
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研究方向

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