Prof Xi Jiang
PhD, CEng, FIMechE, AFIChemE

 

All Publications

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2026

  • An AI-driven de novo design and optimisation of sustainable aviation fuels
    Freitas RSM, You F, Xing Z, Rochinha FA, Cracknell RF, Mira D, Parente A, Luo KH et al.
    Energy and Ai, Elsevier vol. 25 
    01-09-2026
  • Sparse surrogate modeling for combustion chemistry via time-lag autoencoders and gradient-based clustering
    Castellanos L, Freitas RSM, Galassi RM, Jiang X, Parente A
    Chemical Engineering Science, Elsevier vol. 324 
    01-04-2026
  • Machine learning-enabled uncertainty quantification for thermo-catalytic reactors: A study on fugitive methane oxidation in monolith reactors
    Soyler I, Üstün CE, Paykani A, Jiang X, Karimi N
    Fuel, Elsevier vol. 407 
    01-03-2026

2025

  • A data-driven multi-level simulation framework for ammonia-syngas combustion
    Xing Z, Freitas RSM, Jiang X
    Chemical Engineering Journal Advances, Elsevier vol. 24 
    01-11-2025
  • Machine Learning Applications for Predicting Fuel Ignition and Flame Properties: Current Status and Future Perspectives
    Üstün CE, De Freitas RDSM, Okafor EC, Shahbakhti M, Jiang X, Paykani A
    Energy & Fuels, American Chemical Society (Acs) vol. 39 (28), 13281-13314.  
    07-07-2025
  • Machine learning-driven multi-objective optimisation of ammonia co-firing with highly reactive fuels
    Xing Z, Freitas RSM, Jiang X
    Energy Conversion and Management, Elsevier Bv vol. 341, 120071-120071.  
    13-06-2025
  • Pathways to sustainable fuel design from a probabilistic deep learning perspective
    Freitas RSM, Xing Z, Rochinha FA, Cracknell RF, Mira D, Karimi N, Jiang X
    Advances in Applied Energy, Elsevier Bv vol. 19, 100226-100226.  
    11-06-2025

2024

  • Neural network potential-based molecular investigation of thermal decomposition mechanisms of ethylene and ammonia
    Xing Z, Freitas RSM
    Energy and Ai, Elsevier vol. 18, 100454-100454.  
    01-12-2024
  • Investigation of the chemical mechanism of pollutant formation in co-firing of ammonia and biomass lignin
    Xing Z, Cracknell RF
    International Journal of Hydrogen Energy, Elsevier Bv vol. 77, 126-137.  
    01-08-2024
  • Descriptors-based machine-learning prediction of cetane number using quantitative structure–property relationship
    Freitas RSM
    Energy and Ai, Elsevier Bv, 100385-100385.  
    01-06-2024
  • Effects of compositional uncertainties in cracked NH3/biosyngas fuel blends on the combustion characteristics and performance of a combined-cycle gas turbine: A numerical thermokinetic study
    Soyler I, Zhang K, Jiang X, Karimi N
    International Journal of Hydrogen Energy, Elsevier vol. 69, 504-517.  
    01-06-2024
  • Neural network potential-based molecular investigation of pollutant formation of ammonia and ammonia-hydrogen combustion
    Xing Z
    Chemical Engineering Journal, Elsevier Bv vol. 489, 151492-151492.  
    01-04-2024

2023

  • A molecular investigation on the mechanism of co-pyrolysis of ammonia and biodiesel surrogates
    Xing Z, Chen C, Jiang X
    Energy Conversion and Management, Elsevier Bv vol. 289, 117164-117164.  
    25-05-2023
  • Molecular dynamics of interfacial crystallization of dodecane on hydroxylated silica surface impacted by H2O and CO2
    Chen C, Xia J, Jiang X, Bahai H
    The Journal of Chemical Physics, Aip Publishing vol. 158 (20) 
    25-05-2023
  • A molecular investigation on the effects of OMEX addition on soot inception of diesel pyrolysis
    Xing Z, Yu M, Chen C
    Fuel, Elsevier vol. 346, 128357-128357.  
    14-04-2023
  • Molecular dynamics investigation of the effect of ammonia on coal pyrolysis and the nitrogen transformation
    Yu M, Yu X, Jiang X
    Energy Conversion and Management, Elsevier Bv vol. 285, 117006-117006.  
    12-04-2023
  • Density-Driven Convection for CO2 Solubility Trapping in Saline Aquifers: Modeling and Influencing Factors
    Chen Y, Chen S, Jiang X
    Geotechnics, Mdpi Ag vol. 3 (1), 70-103.  
    03-03-2023
  • Experimental study of impurity effects on convective mixing in Hele-Shaw cell with application to CO2 geological sequestration
    Li D, Jiang X
    Advances in Water Resources, Elsevier Bv vol. 172, 104379-104379.  
    07-01-2023
  • Molecular Dynamics Simulation of Converting Waste Polyethylene (PE) to Chemicals and Fuels under Non-Isothermal and Isothermal Conditions
    Xu Z, Xie Q, Chen C
    Polymer Degradation and Stability, 110249-110249.  
    03-01-2023
  • Migration and redistribution of LNAPL in inclined stratified soil media
    Li D, Cai D, Ao Z
    Journal of Hazardous Materials, Elsevier Bv, 130809-130809.  
    01-01-2023
  • Uncertainty quantification of the premixed combustion characteristics of NH3/H2/N2 fuel blends
    Soyler I, Zhang K, Duwig C, Jiang X, Karimi N
    International Journal of Hydrogen Energy, Elsevier Bv 
    01-01-2023

2022

  • ReaxFF molecular dynamics simulation of nickel catalysed gasification of cellulose in supercritical water
    Yu M, Chen C, Xing Z
    International Journal of Hydrogen Energy, Elsevier vol. 48 (1), 123-137.  
    14-10-2022
  • Thermophysical property prediction of biodiesel mixtures at extreme conditions using molecular dynamics simulation
    Chen C, Mira D
    Journal of Molecular Liquids, Elsevier vol. 367, 120423-120423.  
    01-10-2022
  • Towards predicting liquid fuel physicochemical properties using molecular dynamics guided machine learning models
    Freitas RSM, Lima ÁPF, Chen C, Rochinha FA
    Fuel, Elsevier Bv vol. 329, 125415-125415.  
    05-08-2022
  • Potential of invasive shrubs for energy applications in Uganda
    Ayaa F, Lubwama M, Kirabira JB
    Energy, Ecology and Environment, Springer Science and Business Media Llc 
    02-08-2022
  • Understanding the miscibility of polyoxymethylene dimethyl ethers (OMEn) and diesel blend using molecular dynamics simulation
    Yu M, Chen C
    Fuel, Elsevier vol. 323, 124348-124348.  
    29-04-2022
  • Maximum power point tracking for triboelectric nanogenerator based wave energy converters
    Qian P, Feng B, Wen H, Jiang X
    Nano Energy, Elsevier, 107249-107249.  
    09-04-2022
  • A molecular simulation study on transport properties of FAMEs in high-pressure conditions
    Chen C, Jiang X
    Fuel vol. 316, 123356-123356.  
    28-01-2022

2021

  • A molecular investigation on lignin thermochemical conversion and carbonaceous organics deposition induced catalyst deactivation
    Chen C, Volpe R, Jiang X
    Applied Energy, Elsevier vol. 302 
    01-11-2021
  • Vortex breakdown control by the Plasma Swirl injector
    Li G, Jiang X, Du W, Yang J, Liu C, Mu Y
    Applied Sciences (Switzerland) vol. 11 (12) 
    15-06-2021
  • Coupling effects of native H2S and different co-injected impurities on CO2 sequestration in layered saline aquifers
    Li D, Jiang X, Liu A
    Journal of Natural Gas Science and Engineering, Elsevier vol. 88 
    01-04-2021

2020

  • Design and experimental evaluation of a plasma swirler with helical shaped actuators
    Li G, Jiang X, Jiang L, Lei Z, Zhu J
    Sensors and Actuators a Physical, Elsevier vol. 315 
    01-11-2020
  • Experimental investigation of non-premixed and partially premixed methane lifted flames established on a lobed swirl injector
    Jiang L, Li G, Jiang X, Hu H, Xu Y
    Proceedings of The Institution of Mechanical Engineers Part a: Journal of Power and Energy, Sage Publications, 09576509209-09576509209.  
    09-09-2020
  • Molecular dynamics simulation of soot formation of diesel combustion with oxygenated fuel addition
    Chen C
    Physical Chemistry Chemical Physics, Royal Society of Chemistry (Rsc) 
    24-08-2020
  • Central recirculation zone induced by the DBD plasma actuation
    Li G, Jiang X, Lei Z, Liu C, Xu Y
    Scientific Reports, Springer Nature vol. 10 (1) 
    03-08-2020
  • Parametric and Model Uncertainties Induced by Reduced Order Chemical Mechanisms for Biogas Combustion
    M. Freitas RS, Rochinha FA, Mira D
    Chemical Engineering Science, Elsevier Bv, 115949-115949.  
    15-07-2020
  • Numerical investigation of convective mixing in impure CO2 geological storage into deep saline aquifers
    Li D, Jiang X
    International Journal of Greenhouse Gas Control, Elsevier vol. 96 
    01-05-2020
  • Datasets for high hydrogen content syngas fuel variability effect on combustion physicochemical properties
    Zhang K
    Data in Brief, Elsevier vol. 29 
    11-01-2020

2019

2018

  • Investigation of dilution effects on partially premixed swirling syngas flames using a LES-LEM approach
    Li S, Li S, Zhu M, Jiang X
    Journal of The Energy Institute, Elsevier vol. 91 (6), 902-915.  
    01-12-2018
  • Effects of N2 and H2S binary impurities on CO2 geological storage in stratified formation – A sensitivity study
    Li D, Zhang H, Li Y
    Applied Energy, Elsevier vol. 229, 482-492.  
    01-11-2018
  • Flame lift-off height control by a combined vane-plasma swirler
    Li G, Jiang X, Chen Q
    Journal of Physics D: Applied Physics 
    02-08-2018
  • An assessment of fuel variability effect on biogas-hydrogen combustion using uncertainty quantification
    Zhang K
    International Journal of Hydrogen Energy, Elsevier vol. 43 (27), 12499-12515.  
    01-07-2018
  • An investigation of fuel variability effect on bio-syngas combustion using uncertainty quantification
    Zhang K
    Fuel, Elsevier vol. 220, 283-295.  
    01-05-2018

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