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Janne Hirvi

Janne Hirvi

Senior Researcher

Physical chemistry Doc., PhD

Faculty of Science, Forestry and Technology, Department of Chemistry

janne.hirvi@uef.fi | +358 50 442 2594

0504422594
050 4422594
050 442 2594
+358 50 442 2594
+35850 442 2594
050 4422 594
+358 50 4422 594
+35850 4422 594
+358 50 4422594
+35850 4422594
+358504422594

Information Publications

Job description covers teaching and research in the field of physical chemistry, especially in the field of computational chemistry. The latest research topics are related to environmental catalysis and nuclear waste disposal. The remits include i.a. the teaching laboratory of physical chemistry and the computing clusters of the department of chemistry.

Research groups

Molecular modelling research group 01.01.1984 -

Keywords

chemistry computational chemistry computing clusters environmental catalysis functional materials molecular dynamics molecular modeling nuclear waste disposal physical chemistry quantum chemistry

Publications

38 items

Functionalization of poly(glycidylmethacrylate) with iminodiacetate and imino phosphonate groups for enhanced sorption of neodymium - sorption performance and molecular modeling
Galhoum, Ahmed A; Akashi, Takaya; Linnolahti, Mikko; Hirvi, Janne T; Al-Sehemi, Abdullah G; Kalam, Abul; Guibal, Eric. 2022. Reactive and functional polymers. 180:
Coupling of chemical and hydromechanical properties in bentonite: A new reactive transport model
Jenni, Andreas; Meeussen, Johannes C.L.; Pakkanen, Tapani A.; Hirvi, Janne T.; Akinwunmi, Bukunmi; Yustres, Ángel; Navarro, Vicente; López-Vizcaíno, Rubén; Muuri, Eveliina; Niskanen, Mika; Wersin, Paul; Mäder, Urs. 2021. Applied clay science. 214: 106274
Effects of NO and NO2 on fresh and SO2 poisoned methane oxidation catalyst - Harmful or beneficial?
Auvinen, Paavo; Kinnunen, Niko M; Hirvi, Janne T; Maunula, Teuvo; Kallinen, Kauko; Keenan, Matthew; Suvanto, Mika. 2021. Chemical engineering journal. 417: 128050
Molecular dynamics data for modelling the microstructural behaviour of compacted sodium bentonites
Navarro, Vicente; Yustres, Ángel; Jenni, Andreas; De la Morena, Gema; Asensio, Laura; López-Vizcaíno, Rubén; Cabrera, Virginia; Wersin, Paul; Mäder, Urs; Muuri, Eveliina; Niskanen, Mika; Akinwunmi, Bukunmi; Hirvi, Janne T; Pakkanen, Tapani A. 2021. Applied clay science. 201: 105932
Atomistic simulations of the swelling behaviour of Na-montmorillonite in mixed NaCl and CaCl2 solutions
Akinwunmi, B; Kporha, FEA; Hirvi, JT; Kasa, S; Pakkanen, TA. 2020. Chemical physics. 533: 110712
Computational study of the roles of alkali cation species in the swelling pressure of smectites
Fayoyiwa, AD; Hirvi, JT; Pakkanen, TA. 2020. Chemical physics letters. 744: 137200
PdSO4 Surfaces in Methane Oxidation Catalysts: DFT Studies on Stability, Reactivity, and Water Inhibition
Auvinen, Paavo; Hirvi, Janne T; Kinnunen, Niko M; Suvanto, Mika. 2020. Acs catalysis. 10: 12943-12953
Roles of alkaline-earth cation species in the swelling pressure of smectites - A computational study
Fayoyiwa, Aderemi D; Hirvi, Janne T; Pakkanen, Tapani A. 2020. Chemical physics letters. 753: 137602
Decomposition of Al2O3-Supported PdSO4 and Al2(SO4)3 in the Regeneration of Methane Combustion Catalyst: A Model Catalyst Study
Kinnunen, Niko M; Nissinen, Ville H; Hirvi, Janne T; Kallinen, Kauko; Maunula, Teuvo; Keenan, Matthew; Suvanto, Mika. 2019. Catalysts. 9: 427
Development of a rapid ageing technique for modern methane combustion catalysts in the laboratory: Why does SO2 concentration play an essential role?
Auvinen, Paavo; Kinnunen, Niko M; Hirvi, Janne T; Maunula, Teuvo; Kallinen, Kauko; Keenan, Matthew; Baert, Rik; van den Tillaart, Erik; Suvanto, Mika. 2019. Applied catalysis B : environmental. 258: 117976
Effect of iron (III) on the swelling pressure of dioctahedral smectites: A molecular dynamics study
Fayoyiwa, AD; Sun, L; Hirvi, JT; Kasa, S; Pakkanen, TA. 2019. Chemical physics letters. 736: 136818
Swelling pressure of Na- and Ca-montmorillonites in saline environments: A molecular dynamics study
Akinwunmi, Bukunmi; Hirvi, Janne T; Kasa, Seppo; Pakkanen, Tapani A. 2019. Chemical physics. 2020; 528: 110511
Computational approach to study the influence of Mn, Fe, and Ni as additives toward rubber-brass adhesion
Ling, Chian Ye; Hirvi, Janne T; Markkula, Katriina; Hillman, Leo; Pakkanen, Tapani A. 2018. Theoretical chemistry accounts. 137: 64
Influence of temperature on the swelling pressure of bentonite clay
Akinwunmi, Bukunmi; Sun, Linlin; Hirvi, Janne T; Kasa, Seppo; Pakkanen, Tapani A. 2018. Chemical physics. 516: 177-181
Case study of a modern lean-burn methane combustion catalyst for automotive applications: What are the deactivation and regeneration mechanisms?
Kinnunen NM, Hirvi JT, Kallinen K, Maunula T, Keenan M, Suvanto M. 2017. Applied catalysis B : environmental. 207: 114-119
Effect of cobalt additives and mixed metal sulfides at rubber-brass interface on rubber adhesion: a computational study
Ling CY, Hirvi JT, Suvanto M, Bazhenov AS, Markkula K, Hillman L, Pakkanen TA. 2017. Theoretical chemistry accounts. 136: 24
Influence of layer charge and charge location on the swelling pressure of dioctahedral smectites
Sun Linlin, Chian Ye, Lavikainen Lasse P, Hirvi Janne T, Kasa Seppo, Pakkanen Tapani A. 2016. Chemical physics. 473: 40-45
Interaction of octahedral Mg(II) and tetrahedral Al(III) substitutions in aluminium-rich dioctahedral smectites
Lavikainen Lasse P, Hirvi Janne T, Kasa Seppo, Pakkanen Tapani A. 2016. Theoretical chemistry accounts. 135: 1-6
A computational study of adhesion between rubber and metal sulfides at rubber-brass interface
Ling Chian Ye, Hirvi Janne T, Suvanto Mika, Bazhenov Andrey S, Ajoviita Tommi, Markkula Katriina, Pakkanen Tapani A. 2015. Chemical physics. 453-454: 7-12
Effect of Ligand Structure on Olefin Polymerization by a Metallocene/Borate Catalyst: A Computational Study
Laine Anniina, Coussens Betty B, Hirvi Janne T, Berthoud Alexandra, Friederichs Nic, Severn John R, Linnolahti Mikko. 2015. Organometallics. 34: 2415-2421
Estimation of Montmorillonite Swelling Pressure: A Molecular Dynamics Approach
Sun Linlin, Hirvi Janne T., Schatz Timothy, Kasa Seppo, Pakkanen Tapani A.. 2015. Journal of physical chemistry c. 119: 19863-19868
Molecular dynamics study of montmorillonite crystalline swelling: Roles of interlayer cation species and water content
Sun Linlin, Tanskanen Jukka T, Hirvi Janne T, Kasa Seppo, Schatz Timothy, Pakkanen Tapani A. 2015. Chemical physics. 455: 23-31
Stability of dioctahedral 2:1 phyllosilicate edge structures based on pyrophyllite models
Lavikainen Lasse P, Hirvi Janne T, Kasa Seppo, Schatz Timothy, Pakkanen Tapani A. 2015. Theoretical chemistry accounts. 134: -
Toward Controlling the Metallocene/Methylaluminoxane-Catalyzed Olefin Polymerization Process by a Computational Approach
Kuklin Mikhail S, Hirvi Janne T, Bochmann Manfred, Linnolahti Mikko. 2015. Organometallics. 34: 3586-3597
Formation of octameric methylaluminoxanes by hydrolysis of trimethylaluminum and the mechanisms of catalyst activation in single-site alpha-olefin polymerization catalysis
Hirvi JT, Bochmann M, Severn JR, Linnolahti M. 2014. Chemphyschem. 15: 2732-2742
Molecular dynamic simulations of anisotropic wetting and embedding on functionalized polypropylene surfaces
Jiang Yu, Hirvi Janne T, Suvanto Mika, Pakkanen Tapani A. 2014. Chemical physics. 429: 44-50
Methane combustion activity of Pd-PdOx-Pt/Al2O3 catalyst: the role of platinum promoter
Kinnunen, NM; Hirvi, JT; Suvanto M: Pakkanen, TA;. 2012. Journal of molecular catalysis A : chemical. 356: 20-28
Micro-micro hierarchy replacing micro-nano hierarchy: a precisely controlled way to produce wear-resistant superhydrophobic polymer surfaces
Huovinen, E; Hirvi, J; Suvanto, M; Pakkanen, TA. 2012. Langmuir. 28: 14747-14755
Promoter effect of BaO on CO oxidation on PdO surfaces
Hirvi J; Kallinen K; Kinnunen, T-JJ; Suvanto M; Pakkanen, TA. 2012. Journal of chemical physics. 136: 84704
Procedure to tailor activity of methane combustion catalyst: relation between Pd/PdOx active sites and methane oxidation activity
Kinnunen, N.M., Hirvi, J.T., Venäläinen, T., Suvanto, M., and Pakkanen, T.A. 2011. Applied catalysis A : general. 397: 54-61
Role of the Interface between Pd and PdO in Methane Dissociation
Kinnunen, N.M., Hirvi, J.T., Suvanto, M., and Pakkanen, T.A.,. 2011. Journal of physical chemistry c. 115: 19197-19202
CO oxidation on PdO surfaces
Janne T. Hirvi, Toni-Jani J. Kinnunen, Mika Suvanto, Tapani A. Pakkanen and Jens K. Nørskov. 2010. Journal of chemical physics. 133: 084704/1-084704/6
Nanodroplet impact and sliding on structured polymer surfaces
Hirvi, J. T.; Pakkanen, T. A.. 2008. Surf. Sci.. 602: 1810-1818
Wetting of smooth and nanostructured polyethylene and polyvinylchloride surfaces studied by molecular dynamics simulations
Hirvi Janne. 2008.
Enhanced hydrophobicity of rough polymer surfaces
Hirvi J;Pakkanen T.A. 2007. J. Phys. Chem. B. 111: 3336-3341
Wetting of Nanogrooved Polymer Surfaces
Hirvi J;Pakkanen T.A.. 2007. Langmuir. 23: 7724-7729
Molecular dynamics simulations of water droplets on polymer surfaces
Hirvi Janne;Pakkanen Tapani. 2006. The Journal of Chemical Physics. 125:
Hydrosilylation of cinchonidine and 9-O-TMS-cinchonidine with triethoxysilane: application of 11-(triethoxysily1)-10.11 -dihydrocinchonidine as a chiral modifier in the enantioselective hydrogenation of 1-phenylpropane-1.2-dione
Lindholm A.;Mäki-Arvelä P.;Toukoniitty E.;Pakkanen T.A.;Hirvi J.T.;Salmi T.;Murzin D.Y.;Sjöholm R.;Leino R.. 2002. J. Chem. Soc. Perkin Trans. 1. : 2605-2612

University of Eastern Finland Joensuu, Kuopio © University of Eastern Finland

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Janne Hirvi

Research groups

Keywords

Functionalization of poly(glycidylmethacrylate) with iminodiacetate and imino phosphonate groups for enhanced sorption of neodymium - sorption performance and molecular modeling

Coupling of chemical and hydromechanical properties in bentonite: A new reactive transport model

Effects of NO and NO2 on fresh and SO2 poisoned methane oxidation catalyst - Harmful or beneficial?

Molecular dynamics data for modelling the microstructural behaviour of compacted sodium bentonites

Atomistic simulations of the swelling behaviour of Na-montmorillonite in mixed NaCl and CaCl2 solutions

Computational study of the roles of alkali cation species in the swelling pressure of smectites

PdSO4 Surfaces in Methane Oxidation Catalysts: DFT Studies on Stability, Reactivity, and Water Inhibition

Roles of alkaline-earth cation species in the swelling pressure of smectites - A computational study

Decomposition of Al2O3-Supported PdSO4 and Al2(SO4)3 in the Regeneration of Methane Combustion Catalyst: A Model Catalyst Study

Development of a rapid ageing technique for modern methane combustion catalysts in the laboratory: Why does SO2 concentration play an essential role?

Effect of iron (III) on the swelling pressure of dioctahedral smectites: A molecular dynamics study

Swelling pressure of Na- and Ca-montmorillonites in saline environments: A molecular dynamics study

Computational approach to study the influence of Mn, Fe, and Ni as additives toward rubber-brass adhesion

Influence of temperature on the swelling pressure of bentonite clay

Case study of a modern lean-burn methane combustion catalyst for automotive applications: What are the deactivation and regeneration mechanisms?

Effect of cobalt additives and mixed metal sulfides at rubber-brass interface on rubber adhesion: a computational study

Influence of layer charge and charge location on the swelling pressure of dioctahedral smectites

Interaction of octahedral Mg(II) and tetrahedral Al(III) substitutions in aluminium-rich dioctahedral smectites

A computational study of adhesion between rubber and metal sulfides at rubber-brass interface

Effect of Ligand Structure on Olefin Polymerization by a Metallocene/Borate Catalyst: A Computational Study

Estimation of Montmorillonite Swelling Pressure: A Molecular Dynamics Approach

Molecular dynamics study of montmorillonite crystalline swelling: Roles of interlayer cation species and water content

Stability of dioctahedral 2:1 phyllosilicate edge structures based on pyrophyllite models

Toward Controlling the Metallocene/Methylaluminoxane-Catalyzed Olefin Polymerization Process by a Computational Approach

Formation of octameric methylaluminoxanes by hydrolysis of trimethylaluminum and the mechanisms of catalyst activation in single-site alpha-olefin polymerization catalysis

Molecular dynamic simulations of anisotropic wetting and embedding on functionalized polypropylene surfaces

Methane combustion activity of Pd-PdOx-Pt/Al2O3 catalyst: the role of platinum promoter

Micro-micro hierarchy replacing micro-nano hierarchy: a precisely controlled way to produce wear-resistant superhydrophobic polymer surfaces

Promoter effect of BaO on CO oxidation on PdO surfaces

Procedure to tailor activity of methane combustion catalyst: relation between Pd/PdOx active sites and methane oxidation activity

Role of the Interface between Pd and PdO in Methane Dissociation

CO oxidation on PdO surfaces

Nanodroplet impact and sliding on structured polymer surfaces

Wetting of smooth and nanostructured polyethylene and polyvinylchloride surfaces studied by molecular dynamics simulations

Enhanced hydrophobicity of rough polymer surfaces

Wetting of Nanogrooved Polymer Surfaces

Molecular dynamics simulations of water droplets on polymer surfaces

Hydrosilylation of cinchonidine and 9-O-TMS-cinchonidine with triethoxysilane: application of 11-(triethoxysily1)-10.11 -dihydrocinchonidine as a chiral modifier in the enantioselective hydrogenation of 1-phenylpropane-1.2-dione