Samir H. Mushrif

Citation name

Mushrif, S. H.

Affiliation

University of Alberta

State

AB

Country

Canada

Samir Mushrif

Sessions chaired or co-chaired

Computational Catalysis IV: Biomass Chemistry and Chemicals Production

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

Authored

(46e) Effect of Temperature and Transport on the Yield and Composition of Pyrolysis-Derived Bio-Oil

Paul Dauenhauer

Samir H. Mushrif

Khursheed B. Ansari

Jyotsna S. Arora

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(241c) Unravelling the Catalytic Effect of Naturally Occurring Inorganics on Biomass Pyrolysis Chemistry: A Combined Experimental and DFT Study

Jyotsna S. Arora

Khursheed B. Ansari

Samir H. Mushrif

Paul Dauenhauer

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(169e) Synergistic Application of XPS and DFT to Investigate Metal Oxide Surface Catalysis

Quang Thang Trinh

Samir H. Mushrif

Prince N. Amaniampong

Francois Jerome

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(426b) Effect of Sulfuric Acid and Solvent Environment in the Hydrogenolysis of Glycerol on ReOx-Ir Catalyst: A Combined Experimental and Computational Study

Jithin John Varghese

Christopher Robertson

Lynn F. Gladden

Samir H. Mushrif

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(560fd) Combined DFT and Microkinetic Study of Dry Reforming of Methane on Ni and B Promoted Ni Surfaces

Samir H. Mushrif

Shambhawi Shambhawi

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(406g) Oxidant-Free Dehydrogenation of 2,3-Butanediol to 3-Hydroxy Butanone on Metal Catalysts: A Combined Experimental and Computational Study

Kelvin Mingyao Kwok

Jithin John Varghese

Tanachaporn Panyathanakun

Daniel Sze Wei Ong

Samir H. Mushrif

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(383f) Investigating Primary Decomposition Pathways of Cellulose during the Pyrolysis Process Using First Principles Methods

Arul Mozhi Devan Padmanathan

Samir H. Mushrif

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(751i) Combined DFT and Microkinetic Investigation of CO2 Conversion Reaction Mechanisms and Addressing the Coking Problem: On Ni, Nib and Nib Based Single Atom Alloy Catalysts

Shambhawi Shambhawi

Alexei A. Lapkin

Samir H. Mushrif

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(344af) The Effect of Confinement on Self-Diffusivities and Hydrogen Bonding Network of Organic Liquids inside a Nanoporous Silica Catalyst

Nilesh Varadan Orupattur

Samir H. Mushrif

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(513q) A Comparative Multiscale Computational Study of Methane Dry and Tri Reforming on Nickel Catalysts

Katherine Hassan-Legault

Samir H. Mushrif

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(437c) Investigating the Influence of Co-Solvents on Acid Catalyzed, Condensed Phase Biomass Reactions Using Molecular Dynamics and Metadynamics.

José Carlos Velasco Calderón

Samir H. Mushrif

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(111c) Mechanistic Investigation into the Formation of Humins in Acid Catalyzed Liquid Phase Biomass Reactions.

José Carlos Velasco Calderon

Samir H. Mushrif

Jyotsna S. Arora

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(661k) Determining Surface-Specific Hubbard-U Corrections and Identifying Key Adsorbates on Reducible and Non-Reducible Transition Metal Oxide Catalysts

Samir H. Mushrif

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(34d) Energetics of Condensed-Phase Biomass Pyrolysis Chemistry: A Novel Computational Approach and Its Benchmarking Using Ab-Initio Molecular Dynamics

Arul Mozhi Devan Padmanathan

Samir H. Mushrif

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(111h) Investigating Thermodynamics and Kinetics of the Formation of Lignin-Carbohydrate Complex Linkages in Lignocellulosic Biomass Using Ab Initio Methods

Samir H. Mushrif

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(180c) Effect of W Dopant on the Hydrodeoxygenation Performance of Mo2c: Investigating the Microstructure of the Catalyst and Reaction Pathways Using Guaiacol As a Model Compound

Samir H. Mushrif

Serge Kaliaguine

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(173ac) Condensed Phase Catalytic Conversion of Benzyl Alcohol to Phenol Using High-Frequency Ultrasound: A Combined Experimental and DFT Investigation

Prince N. Amaniampong

Francois Jerome

Samir H. Mushrif

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(360bg) Investigating Stable and Active Catalysts for Hydrogen Generation Via Methane Pyrolysis in Molten Media, Using Ab Initio Molecular Dynamics

Samir H. Mushrif

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(425f) Enhancement in the Bio-Oil Hydrodeoxygenation Performance of Mo2c Due to Tungsten Doping: A DFT Study Using Lignin and Carbohydrates Derived Model Compounds

Samir H. Mushrif

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(97b) Investigating Reaction Mechanisms and Solvent Effects in Humins Formation Using Multiscale Molecular Modeling

Samir H. Mushrif

José Carlos Velasco Calderon

Jyotsna S. Arora

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(620b) Influence of Lignin-Carbohydrate Complex (LCC) Linkages on the Pyrolytic Decomposition of Carbohydrates in Biomass

Arul Mozhi Devan Padmanathan

Samir H. Mushrif

Khursheed B. Ansari

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(675d) Insights into the Structure-Activity Relationship of Cu-Doped Ceria for Reverse Water-Gas Shift Reaction: A Combined Theoretical and Experimental Investigation

Kishore Kandasamy

Samir H. Mushrif

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

(704c) Evaluating Tungsten Doped Molybdenum Carbide for the Selective Hydrodeoxygenation of Real Bio-Oil: A DFT Study Using Lignin and Carbohydrates Derived Bio-Oil Components

Samir H. Mushrif

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

(541f) Water-Assisted Hydrogenation of Aromatics Under Ambient Conditions over Ruthenium Catalyst: A Combined Experimental and Computational Investigation

Samir H. Mushrif

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

(50d) Hydrogen Production and C2 Product Formation in Metal-Dispersed Molten Salt Systems Via Methane Pyrolysis: An Ab Initio Molecular Dynamics Study

Samir H. Mushrif

2024 AIChE Annual Meeting

Associated proceedings

2018 AIChE Annual Meeting

2019 AIChE Annual Meeting

2020 Virtual AIChE Annual Meeting

2021 Annual Meeting

2022 Annual Meeting

2023 AIChE Annual Meeting