Joost Van Stralen

Joost Van Stralen
TNO | tno · Energy Transition

Dr.

About

60
Publications
18,304
Reads
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1,132
Citations
Citations since 2016
24 Research Items
510 Citations
2016201720182019202020212022020406080100120
2016201720182019202020212022020406080100120
2016201720182019202020212022020406080100120
2016201720182019202020212022020406080100120
Introduction
Joost van Stralen currently works at the Energy transition studies group of TNO. Joost does research in renewable energy modelling, energy system integration and biobased economy.
Additional affiliations
September 2006 - present
ECN part of TNO
Position
  • Researcher
October 2004 - September 2006
Vrije Universiteit Amsterdam
Position
  • PostDoc Position
May 2000 - September 2004
Vrije Universiteit Amsterdam
Position
  • PhD Student

Publications

Publications (60)
Article
Full-text available
Spatially sensitive regional renewables’ potentials are greatly influenced by existing land-use claims and related spatial and environmental policies. Similarly, heat particularly related to low-temperature demand applications in the built environment (BE) is highly spatially explicit. This study developed an analytical approach for a detailed spat...
Article
This paper presents two different scenarios for the energy system of the Netherlands that achieve the Dutch government's national target of near net-zero greenhouse gas emissions in 2050. Using the system optimisation model OPERA, the authors have analysed the technology, sector and cost implications of the assumptions underlying these scenarios. W...
Article
Full-text available
The C–X bond activation (X = H, C) of a series of substituted C(n°)–H and C(n°)–C(m°) bonds with C(n°) and C(m°) = H3C– (methyl, 0°), CH3H2C– (primary, 1°), (CH3)2HC– (secondary, 2°), (CH3)3C– (tertiary, 3°) by palladium were investigated using relativistic dispersion‐corrected density functional theory at ZORA‐BLYP‐D3(BJ)/TZ2P. We pinpoint the eff...
Article
Integrated energy system modeling tools predominantly focus on the (inter)national or local scales. The intermediate level is important from the perspective of regional policy making, particularly for identifying the potentials and constraints of various renewable resources. Additionally, distribution variations of economic and social sectors, such...
Article
Full-text available
This article introduces and describes OPERA, a new technology-rich bottom-up energy system optimization model for the Netherlands. We give a detailed specification of OPERA’s underlying methodology and approach, as well as a description of its multiple applications. The model has been used extensively to formulate strategic policy advice on energy...
Technical Report
Full-text available
The impact of phasing out woody biomass for heat generation in the ADAPT and TRANSFORM scenarios
Technical Report
Full-text available
In this report the potential role of offshore system integration options in the national energy system are analysed. The focus is on offshore hydrogen production using electricity produced from offshore wind turbines in the Dutch Economical Exclusion Zone. It is addressed in this study under which circumstances offshore hydrogen production is attra...
Article
Full-text available
DIRAC is a freely distributed general-purpose program system for one-, two-, and four-component relativistic molecular calculations at the level of Hartree–Fock, Kohn–Sham (including range-separated theory), multiconfigurational self-consistent-field, multireference configuration interaction, electron propagator, and various flavors of coupled clus...
Preprint
Full-text available
DIRAC is a freely distributed general-purpose program system for 1-, 2- and 4-component relativistic molecular calculations at the level of Hartree--Fock, Kohn--Sham (including range-separated theory), multiconfigurational self-consistent-field, multireference configuration interaction, coupled cluster and electron propagator theory. At the self-co...
Code
DIRAC19 DIRAC, a relativistic ab initio electronic structure program, Release DIRAC19 (2019), written by A. S. P. Gomes, T. Saue, L. Visscher, H. J. Aa. Jensen, and R. Bast, with contributions from I. A. Aucar, V. Bakken, K. G. Dyall, S. Dubillard, U. Ekström, E. Eliav, T. Enevoldsen, E. Faßhauer, T. Fleig, O. Fossgaard, L. Halbert, E. D. Hedegård,...
Code
DIRAC18 DIRAC, a relativistic ab initio electronic structure program, Release DIRAC18 (2018), written by T. Saue, L. Visscher, H. J. Aa. Jensen, and R. Bast, with contributions from V. Bakken, K. G. Dyall, S. Dubillard, U. Ekström, E. Eliav, T. Enevoldsen, E. Faßhauer, T. Fleig, O. Fossgaard, A. S. P. Gomes, E. D. Hedegård, T. Helgaker, J. Henrikss...
Article
Lignocellulosic biomass is expected to play an important role in decarbonizing our economy. In this modeling study, we assessed the future role of biobased chemicals and energy from this resource in the EU up to 2030. The study's general outcomes indicate that biobased heat remains the largest biobased sector over this period, and biobased chemical...
Article
Full-text available
This study presents supply scenarios of non‐food renewable jet fuel (RJF) in the European Union (EU) towards 2030, based on the anticipated regulatory context, availability of biomass and conversion technologies, and competing biomass demand from other sectors (i.e. transport, heat, power and chemicals). A cost optimization model was used to identi...
Technical Report
Full-text available
The report presents the methodology and major results of the second phase of the FLEXNET project. This phase is focussed on identifying and analysing the options to meet the flexibility needs of a sustainable and reliable power system in the Netherlands up to 2050. More specifically, following the first phase report of the FLEXNET project (which fo...
Chapter
For this chapter, we reviewed the way demand sectors were modeled in the past decade, and how demand and supply were assessed in integrated modeling tools. For this, we took ECN's BioTrans/RESolve-Biomass model as a case. The review indicates that this modeling framework is relatively flexible, both in terms of the questions that can be addressed b...
Technical Report
Full-text available
This report quantifies the required emission reductions of the EU aviation sector to achieve carbon-neutral growth up to 2030. It explores the role of RJF in reducing aviation CO2 emissions and available feedstock and technology options to produce RJF towards 2030. Four possible RJF deployment scenarios (varying in the level of RJF deployment) are...
Technical Report
Full-text available
The S2Biom project aims to support the sustainable delivery of non-food biomass feedstock at local, regional and pan European level through developing strategies and roadmaps. S2Biom Work Package 7 focuses on an integrated assessment of lignocellulosic biomass chains, for energy as well as chemicals and materials. It makes use of the various databa...
Code
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC16 (2016), written by H. J. Aa. Jensen, R. Bast, T. Saue, and L. Visscher, with contributions from V. Bakken, K. G. Dyall, S. Dubillard, U. Ekstroem, E. Eliav, T. Enevoldsen, E. Fasshauer, T. Fleig, O. Fossgaard, A. S. P. Gomes, T. Helgaker, J. Henriksson, M. Ilias, Ch. R. J...
Code
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC15 (2015), written by R. Bast, T. Saue, L. Visscher, and H. J. Aa. Jensen, with contributions from V. Bakken, K. G. Dyall, S. Dubillard, U. Ekstroem, E. Eliav, T. Enevoldsen, E. Fasshauer, T. Fleig, O. Fossgaard, A. S. P. Gomes, T. Helgaker, J. Henriksson, M. Ilias, Ch. R. J...
Technical Report
Full-text available
P2G - the conversion of (renewable) electricity into a gas (hydrogen, methane) - is considered an attractive option to both accommodate intermittent electricity supply from wind and solar resources and decarbonise fossil fuel dependent end-use sectors (e.g. transport, built environment). But what is the actual role that could be played by this tech...
Code
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC14 (2014), written by T. Saue, L. Visscher, H. J. Aa. Jensen, and R. Bast, with contributions from V. Bakken, K. G. Dyall, S. Dubillard, U. Ekström, E. Eliav, T. Enevoldsen, E. Faßhauer, T. Fleig, O. Fossgaard, A. S. P. Gomes, T. Helgaker, J. Henriksson, M. Iliaš, Ch. R. Jac...
Article
Full-text available
The Biomass Futures project assessed the role of bioenergy in meeting Europe's renewable energy targets established by the 2009 Renewable Energy Directive for 2020 and provided outlooks to 2030 and 2050. This perspective sets the scene for the approaches followed within Biomass Futures, and presents the main issues addressed and the interactions of...
Article
Three scenarios are developed to illustrate the likely impacts of sustainability criteria on biomass supply and demand within the Biomass Futures project. This paper presents the rationale behind these scenarios. The reference scenario re-analyzes the NREAP bioenergy demands based on the EU Renewable Energy Directive sustainability criteria targete...
Article
The National Renewable Energy Action Plans (NREAPs), as submitted to the European Commission by the 27 European Union member states (EU27), show ambitious development paths for the deployment of biomass in the heat, electricity, and transport sectors up to 2020. This study analyzes the distribution of different biomass feedstocks over these sectors...
Code
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC13 (2013), written by L. Visscher, H. J. Aa. Jensen, R. Bast, and T. Saue, with contributions from V. Bakken, K. G. Dyall, S. Dubillard, U. Ekström, E. Eliav, T. Enevoldsen, E. Faßhauer, T. Fleig, O. Fossgaard, A. S. P. Gomes, T. Helgaker, J. K. Lærdahl, Y. S. Lee, J. Henrik...
Article
Full-text available
Over 50% of the targets for renewable energy use in 2020 as specified in the National Renewable Energy Action Plans (NREAPs) will need to come from bioenergy. As a consequence the demand for biomass will increase strongly over the coming years. In the Biomass Futures project it is estimated that the EU biomass potential ranges between 375 to 429 Mt...
Code
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC12 (2012), written by H. J. Aa. Jensen, R. Bast, T. Saue, and L. Visscher, with contributions from V. Bakken, K. G. Dyall, S. Dubillard, U. Ekström, E. Eliav, T. Enevoldsen, T. Fleig, O. Fossgaard, A. S. P. Gomes, T. Helgaker, J. K. Lærdahl, Y. S. Lee, J. Henriksson, M. Ilia...
Code
DIRAC11 DIRAC, a relativistic ab initio electronic structure program, Release DIRAC11 (2011), written by R. Bast, H. J. Aa. Jensen, T. Saue, and L. Visscher, with contributions from V. Bakken, K. G. Dyall, S. Dubillard, U. Ekström, E. Eliav, T. Enevoldsen, T. Fleig, O. Fossgaard, A. S. P. Gomes, T. Helgaker, J. K. Lærdahl, J. Henriksson, M. Iliaš,...
Article
Fünf gewinnt! Unter bestimmten Umständen liegen hypervalente Kohlenstoffatome mit fünf Substituenten in einer trigonal-bipyramidalen Anordnung vor (siehe Struktur), die dem normalerweise labilen Übergangszustand von SN2-Reaktionen entspricht.
Article
The enzymes of the thioredoxin family fulfill a wide range of physiological functions. Although they possess a similar CXYC active site motif, with identical environment and stereochemical properties, the redox potential and pK(a) of the cysteine pair varies widely across the family. As a consequence, each family member promotes oxidation or reduct...
Article
Thioredoxins (Trx) are enzymes with a characteristic CXYC active-site motif that catalyze the reduction of disulfide bonds in other proteins. We have theoretically explored this reaction mechanism, both in the gas phase and in water, using density functional theory. The mechanism of disulfide reduction involves two consecutive thiol-disulfide excha...
Article
Full-text available
A valence-only (V) dipole moment surface (DMS) has been computed for water at the internally contracted multireference configuration interaction level using the extended atom-centered correlation-consistent Gaussian basis set aug-cc-pV6Z. Small corrections to these dipole values, resulting from core correlation (C) and relativistic (R) effects, hav...
Article
We propose and examine a comprehensive mechanism of the [(eta(5)-C5H5)Rh]-catalyzed [2+2+2] cycloadditions of acetylene to benzene and of acetylene and acetonitrile to 2-methylpyridine, based on an extensive and detailed exploration of the potential energy surfaces using density functional theory. Both processes involve the formation of a coordinat...
Article
The nuclear quadrupole moment for (197)Au has been determined on the base of the state-of-art relativistic molecular calculations. The experimental shifts in the nuclear coupling constants in the series of molecules AuF, XeAuF, KrAuF, ArAuF, (OC)AuF, and AuH have been combined with highly accurate determinations of the electric field gradient (EFG)...
Article
We have computationally studied the oxidative addition of AH(4) to Pd (with A = C, Si, Ge, Sn, and Pb) using relativistic density functional theory (DFT) at ZORA-BLYP/TZ2P. Our purpose is threefold: (i) exploring the occurrence and competition between direct oxidative insertion (OxIn) into the A-H bond and an alternative S(N)2-type mechanism that i...
Article
Full-text available
A combined experimental and theoretical study of the charge-transfer complex [Ar-N(2)](+) is presented. Nearly 50 transitions split by spin-rotation interaction have been observed by means of infrared diode laser absorption spectroscopy in a supersonic planar plasma expansion. The band origin is at 2272.2563(18) cm(-1) and rotational constants in t...
Article
The first implementation of analytical first-order one-electron molecular properties at the Dirac-Coulomb MP2 level of theory is described. The formalism presented allows for the use of inactive spinors. The method has been applied to the calculation of parity violation energies in H2X2 (X = O, S, Se, and Te). Electron correlation does not play an...
Article
Relativistic four-component electronic structure theory using both wave-function (Dirac-Coulomb-Hartree-Fock and second-order many-body perturbation-theory) and density-functional based methods (local density, hybrid, and generalized gradient approximations) is applied to discuss the current status on the accuracy of parity-violation calculations f...
Article
Full-text available
From relativistic quantum-chemical calculations of the molecular electronic structure of hydrogen iodide HI in electronic state X (1)Sigma(+) or 0(+) using the Dirac-Coulomb coupled-cluster method with singles, doubles and non-iterative triples (DC-CCSD(T)), we have evaluated the electric dipole moment p at 17 values of internuclear distance R. On...
Article
Relativistic ab initio methods are used to compute the electric field gradient at the iodine nucleus in nine different closed-shell diatomic molecules. Combining these theoretical electric field gradients with experimental nuclear quadrupole coupling constants gives a consistent value of the nuclear quadrupole moment of I-127 of -696(12) millibarn....
Article
Full-text available
The nuclear quadrupole moment of In-115 has been determined by combining the experimental nuclear quadrupole coupling constants and electric field gradients, calculated at the four-component CCSD(T) level of theory, of four indium halides. Our recommended value for the nuclear quadrupole moment of In-115 is 770(8) millibarn. A basis set study at th...
Article
We perform a quantum study of the dissociative adsorption of H2 molecules on the Cu(1 0 0) surface. By calculating the reaction probability at specific surface sites, we find that, even at low collision energies, reaction is not necessarily dominated by the site with the lowest potential barrier to reaction. By controlling the vibration and collisi...
Article
Full-text available
A comparison between experiment and theory is performed for the scattering of (v = 1, j = 1) H2 from Cu(100) at normal incidence. Experimentally, this system was studied using molecular beam techniques, with stimulated Raman pumping employed to overpopulate (v = 1, j = 1) in the incident beam, and resonance enhanced multi-photon ionization used to...
Article
We perform a quantum study of the dissociative adsorption of H 2 molecules on the Cu(1 0 0) surface. By calculating the reaction probability at specific surface sites, we find that, even at low collision energies, reaction is not necessarily dominated by the site with the lowest potential barrier to reaction. By controlling the vibration and collis...
Article
We perform six-dimensional (6D) quantum wavepacket calculations for H2 dissociatively adsorbing on Cu(100) from a variety of rovibrational initial states. The calculations are performed on a new potential energy surface (PES), the construction of which is also detailed. Reaction probabilities are in good agreement with experimental findings. Using...
Article
Full-text available
The nuclear quadrupole moment of In-115 has been determined by combining the experimental nuclear quadrupole coupling constants and electric field gradients, calculated at the four-component CCSD(T) level of theory, of four indium halides. Our recommended value for the nuclear quadrupole moment of In-115 is 770(8) millibarn. A basis set study at th...

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