Search Results - "Janne T. Hirvi"

PdSO4 Surfaces in Methane Oxidation Catalysts: DFT Studies on Stability, Reactivity, and Water Inhibition by Auvinen, Paavo, Hirvi, Janne T, Kinnunen, Niko M, Suvanto, Mika

“…Although it is experimentally difficult to observe, PdSO4 is considered to be the culprit for the reduced activity of SO2-poisoned methane oxidation catalysts…”
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Swelling pressure of Na- and Ca-montmorillonites in saline environments: A molecular dynamics study by Akinwunmi, Bukunmi, Hirvi, Janne T., Kasa, Seppo, Pakkanen, Tapani A.

“…[Display omitted] •Salinity has a negative influence on swelling pressure of bentonite clays.•The influence of salinity on swelling pressure is dependent on…”
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Toward Controlling the Metallocene/Methylaluminoxane-Catalyzed Olefin Polymerization Process by a Computational Approach by Kuklin, Mikhail S, Hirvi, Janne T, Bochmann, Manfred, Linnolahti, Mikko

“…We describe and compare the proposed mechanisms of ethene polymerization by the metallocene/methylaluminoxane (MAO) catalyst in terms of quantum chemical…”
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Effect of Ligand Structure on Olefin Polymerization by a Metallocene/Borate Catalyst: A Computational Study by Laine, Anniina, Coussens, Betty B, Hirvi, Janne T, Berthoud, Alexandra, Friederichs, Nic, Severn, John R, Linnolahti, Mikko

“…We have carried out a systematic computational study on olefin polymerization by metallocene/borate catalysts, using three metallocenes: Cp2ZrMe2 (Cp),…”
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Role of the Interface between Pd and PdO in Methane Dissociation by Kinnunen, Niko M, Hirvi, Janne T, Suvanto, Mika, Pakkanen, Tapani A

“…Dissociation of the first C–H bond of methane was investigated at the interface of partial PdO(101) monolayer and supporting Pd(100) surface with density…”
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Methane combustion activity of Pd–PdOx–Pt/Al2O3 catalyst: The role of platinum promoter by Kinnunen, Niko M., Hirvi, Janne T., Suvanto, Mika, Pakkanen, Tapani A.

“…[Display omitted] ► Addition of Pt improves aging durability of the Pd–PdOx catalyst. ► Active phase of the catalysts consists of metallic (M) and metal oxide…”
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Procedure to tailor activity of methane combustion catalyst: Relation between Pd/PdOx active sites and methane oxidation activity by KINNUNEN, Niko M, HIRVI, Janne T, VENÄLÄINEN, Tapani, SUVANTO, Mika, PAKKANEN, Tapani A

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Decomposition of Al2O3-Supported PdSO4 and Al2(SO4)3 in the Regeneration of Methane Combustion Catalyst: A Model Catalyst Study by Niko M. Kinnunen, Ville H. Nissinen, Janne T. Hirvi, Kauko Kallinen, Teuvo Maunula, Matthew Keenan, Mika Suvanto

“…Exhaust gas aftertreatment systems play a key role in controlling transportation greenhouse gas emissions. Modern aftertreatment systems, often based on Pd…”
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Case study of a modern lean-burn methane combustion catalyst for automotive applications: What are the deactivation and regeneration mechanisms? by Kinnunen, Niko M., Hirvi, Janne T., Kallinen, Kauko, Maunula, Teuvo, Keenan, Matthew, Suvanto, Mika

“…[Display omitted] •Sulfur poisoned CH4 oxidation catalyst is active in dry gas feed.•Deactivation of lean-burn CH4 oxidation catalyst is a joint effect of SO2…”
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Formation of Octameric Methylaluminoxanes by Hydrolysis of Trimethylaluminum and the Mechanisms of Catalyst Activation in Single-Site α-Olefin Polymerization Catalysis by Hirvi, Janne T., Bochmann, Manfred, Severn, John R., Linnolahti, Mikko

“…Hydrolysis of trimethylaluminum (TMA) leads to the formation of methylaluminoxanes (MAO) of general formula (MeAlO)n(AlMe3)m. The thermodynamically favored…”
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Estimation of Montmorillonite Swelling Pressure: A Molecular Dynamics Approach by Sun, Linlin, Hirvi, Janne T, Schatz, Timothy, Kasa, Seppo, Pakkanen, Tapani A

“…The swelling pressure of montmorillonite is an important factor in designing the bentonite buffer for geo-disposal of nuclear waste. A method to predict the…”
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Formation of Octameric Methylaluminoxanes by Hydrolysis of Trimethylaluminum and the Mechanisms of Catalyst Activation in Single-Site [alpha]-Olefin Polymerization Catalysis by Hirvi, Janne T, Bochmann, Manfred, Severn, John R, Linnolahti, Mikko

“…Hydrolysis of trimethylaluminum (TMA) leads to the formation of methylaluminoxanes (MAO) of general formula (MeAlO)n(AlMe3)m. The thermodynamically favored…”
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Influence of temperature on the swelling pressure of bentonite clay by Akinwunmi, Bukunmi, Sun, Linlin, Hirvi, Janne T., Kasa, Seppo, Pakkanen, Tapani A.

“…[Display omitted] The swelling pressures of bentonites have been studied extensively due to their potential use as a barrier in radioactive waste disposal…”
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Development of a rapid ageing technique for modern methane combustion catalysts in the laboratory: Why does SO2 concentration play an essential role? by Auvinen, Paavo, Kinnunen, Niko M., Hirvi, Janne T., Maunula, Teuvo, Kallinen, Kauko, Keenan, Matthew, Baert, Rik, van den Tillaart, Erik, Suvanto, Mika

“…[Display omitted] •Rapid ageing of a MOC catalyst was studied at three different SO2 concentrations.•Results suggested that sulphur concentration affected the…”
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Influence of layer charge and charge location on the swelling pressure of dioctahedral smectites by Sun, Linlin, Ling, Chian Ye, Lavikainen, Lasse P., Hirvi, Janne T., Kasa, Seppo, Pakkanen, Tapani A.

“…[Display omitted] Swelling pressure of dioctahedral smectites in the montmorillonite – beidellite series was investigated by molecular dynamics simulations…”
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Wetting of Nanogrooved Polymer Surfaces by Hirvi, Janne T, Pakkanen, Tapani A

“…Molecular dynamics simulations were used to study the wetting of nanogrooved PE and PVC polymer surfaces. The contact angles, equilibrium states, and…”
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Computational approach to study the influence of Mn, Fe, and Ni as additives toward rubber–brass adhesion by Ling, Chian Ye, Hirvi, Janne T., Markkula, Katriina, Hillman, Leo, Pakkanen, Tapani A.

“…The effect of different transition metals (manganese, iron, and nickel) as alternative for cobalt additives toward the performance of rubber adhesion to brass…”
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Effect of cobalt additives and mixed metal sulfides at rubber–brass interface on rubber adhesion: a computational study by Ling, Chian Ye, Hirvi, Janne T., Suvanto, Mika, Bazhenov, Andrey S., Markkula, Katriina, Hillman, Leo, Pakkanen, Tapani A.

“…Interaction of rubber models with dopant atoms on ZnS(110) and Cu 2 S(111) surfaces, present in rubber–brass adhesive interlayer, has been studied via…”
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Nanodroplet impact and sliding on structured polymer surfaces by Hirvi, Janne T., Pakkanen, Tapani A.

“…A comprehensive understanding of the wetting dynamics of rough hydrophobic surfaces is necessary for the optimization of practical applications. Molecular…”
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Enhanced Hydrophobicity of Rough Polymer Surfaces by Hirvi, Janne T., Pakkanen, Tapani A.

“…Molecular dynamics simulations were used to study the effect of periodic roughness of PE and PVC polymer surfaces on the hydrophobicity. Pillars of different…”
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