TY - GEN A1 - Verma, Rakhi A1 - Günther, Vivien A1 - Charlafti, Evgenia A1 - Rachow, Fabian A1 - Giri, Binod Raj A1 - Hemaizia, Abdelkader A1 - Thévenin, Dominique A1 - Flege, Jan Ingo A1 - Mauss, Fabian T1 - Development of detailed surface reaction mechanism for methanation process based on experiments T2 - Proceedings in applied mathematics and mechanics : PAMM N2 - The pressure to reduce greenhouse gas emissions is growing, which demands new and innovative technologies to produce mobile as well as stationary energy. The methanation offers a pathway to reduce greenhouse gas emissions by directly converting to . This also plays a crucial role in “power‐to‐gas” (P2G) technologies by providing an approach to store excess renewable energy in the form of methane in an existing natural gas infrastructure. However, methanation is a complex process due to its exothermic nature, interaction of the gas species with the catalyst, and possible catalyst degradation. Therefore, a deeper understanding is required for the methanation reaction, its different reaction pathways, and side reactions. In this work, we aim to understand the direct production of synthetic natural gas from and in a Sabatier process with the help of experiments over a Ni/ catalyst. A detailed surface reaction mechanism is developed to extend the study numerically by validating the simulation results with the experimental data. A one‐dimensional model, LOGEcat, based on a single‐channel catalyst model, is used for kinetic modeling. Experiments as well as simulations have been performed at various conditions, such as temperature variation and dilution to the inlet composition. We have successfully captured the experimental trends using the kinetic model developed for the conditions considered for the analysis. Y1 - 2026 U6 - https://doi.org/10.1002/pamm.70061 SN - 1617-7061 VL - 26 IS - 1 SP - 1 EP - 6 PB - Wiley CY - Weinheim ER - TY - GEN A1 - Werner, Adina A1 - Kim, Jongmin A1 - Mauss, Fabian T1 - Pressure and temperature dependent UNIQUAC model for methanol - water mixtures T2 - Fluid phase equilibria : an international journal N2 - A pressure dependency is included in a quadratic temperature dependent binary interaction parameter of the UNIQUAC model. The obtained activity coefficients for methanol-water mixtures are compared with only temperature dependent UNIQUAC and UNIFAC, and with calculated activity coefficients based on experimental data between 298.15 - 373.15 K and 0.1519 - 1.01325 bar produced with vapor-liquid equilibrium calculations and Wilson method. This model exhibits an overall good agreement. The predicted activity coefficients are more adaptable than those from models without pressure dependence, indicating potential for further improvement. Y1 - 2026 U6 - https://doi.org/10.1016/j.fluid.2025.114533 SN - 0378-3812 VL - 599 SP - 1 EP - 13 PB - Elsevier BV CY - Amsterdam ER - TY - GEN A1 - Werner, Adina A1 - Kim, Jongmin A1 - Mauss, Fabian T1 - Excess volumes calculated from UNIQUAC model using the example of methanol - water mixtures T2 - Fluid phase equilibria N2 - Excess volumes can be calculated generally via equations of state. In this work, the excess volumes are obtained using the UNIQUAC model with two approaches of a temperature- and pressure-dependent binary interaction parameter. The pressure dependency is required as the excess volume is derived from the pressure dependency of the excess free enthalpy. Both UNIQUAC approaches are successfully able to predict the vapor-liquid equilibrium as well as the excess volume of methanol-water mixtures over a temperature range between 288.15–473 K and a pressure range between 0.1519–134 bar using a single optimized parameter set. KW - UNIQUAC KW - Excess volume KW - Activity coefficient KW - Pressure dependency Y1 - 2026 U6 - https://doi.org/10.1016/j.fluid.2025.114650 SN - 0378-3812 VL - 603 SP - 1 EP - 13 PB - Elsevier BV CY - Amsterdam ER - TY - GEN A1 - Udaybhanu, Gadi A1 - Giri, Binod R. A1 - Lee, Bok Jik A1 - Shrestha, Krishna P. A1 - Roberts, William L A1 - Mauss, Fabian A1 - Reddy, V. Mahendra T1 - Investigation of staging techniques for hydrocarbon-assisted ammonia flames in a novel dual-stage combustor T2 - Combustion and flame N2 - Ammonia presents itself as a high-hydrogen dense and carbon-free alternative for industrial heating, power generation, and transportation. Nevertheless, the challenges of its low flame speed and elevated NOx (nitrogen oxides) emissions pose significant challenges in combustor applications. This study investigates a novel two-stage burner employing a radial injection staging technique and explores various NOx reduction strategies for hydrocarbon-assisted ammonia flames. These strategies include premixing, fuel staging, balanced fuel staging, air staging, and sequential premixing. The focus is on LPG (liquid petroleum gas)-stabilized ammonia flames. The experiments are conducted at a constant thermal input of 20 kW (10 kW LPG + 10 kW NH3), with global equivalence ratios ranging from 0.7 to 1.4. This approach aims to provide valuable insights into the effectiveness of different staging strategies for NOx reduction in ammonia combustion. Experimental analysis is undertaken to ascertain the flame stabilization, flame temperature and its reaction zone, intermediate species and major emissions like NOx and NH3 of the burner. Staging configuration strongly influenced flame stabilization, heat release distribution, and thermal field, with downstream-shifted combustion zones lowering peak temperatures and NOx formation. Among the tested strategies, fuel staging and sequential premixing consistently achieved the greatest NOx reduction across the entire operating range compared to the premixed baseline, without compromising flame stability. Chemical kinetics analysis further reveals the dominant NO formation pathways, highlighting the key roles of HNO and NHi radicals. Additionally, this analysis helps identify dominant reaction routes and the role of intermediate species in NO formation and reduction processes. The combined experimental and kinetic insights provide a mechanistic basis for optimizing staged combustion of ammonia-hydrocarbon blends for lower NOx emissions. KW - Ammonia combustion KW - Nox reduction KW - Staging techniques KW - Flame stabilization KW - Radial injection KW - Kinetic analysis Y1 - 2026 U6 - https://doi.org/10.1016/j.combustflame.2025.114607 SN - 0010-2180 VL - 284 SP - 1 EP - 12 PB - Elsevier BV CY - Amsterdam ER -