Browse by UCL people
Group by: Type | Date
Number of items: 267.
Article
An, J;
He, G;
Luo, K;
Qin, F;
Liu, B;
(2020)
Artificial neural network based chemical mechanisms for computationally efficient modeling of hydrogen/carbon monoxide/kerosene combustion.
International Journal of Hydrogen Energy
, 45
(53)
pp. 29594-29605.
10.1016/j.ijhydene.2020.08.081.
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An, J;
Wang, H;
Liu, B;
Luo, KH;
Qin, F;
He, GQ;
(2020)
A deep learning framework for hydrogen-fueled turbulent combustion simulation.
International Journal of Hydrogen Energy
, 45
(35)
pp. 17992-18000.
10.1016/j.ijhydene.2020.04.286.
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Bai, Z;
Jiang, XZ;
Luo, KH;
(2025)
Enhanced CO2 electrochemical reduction on single-atom catalysts with optimized environmental, central and axial chemical ambient.
Journal of Colloid and Interface Science
, 686
pp. 1188-1199.
10.1016/j.jcis.2025.02.015.
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Bai, Z;
Jiang, XZ;
Luo, KH;
(2023)
Understanding mechanisms of pyridine oxidation with ozone addition via reactive force field molecular dynamics simulations.
Chemical Engineering Science
, 266
, Article 118290. 10.1016/j.ces.2022.118290.
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Bai, Z;
Jiang, XZ;
Luo, KH;
(2023)
Reactive force field molecular dynamics simulation of pyridine combustion assisted by an electric field.
Fuel
, 333
(2)
, Article 126455. 10.1016/j.fuel.2022.126455.
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Bai, Z;
Jiang, XZ;
Luo, KH;
(2022)
Effects of water on pyridine pyrolysis: A reactive force field molecular dynamics study.
Energy
, 238
(Part B)
, Article 121798. 10.1016/j.energy.2021.121798.
(In press).
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Bai, Zhongze;
Jiang, Xi Zhuo;
Luo, Kai H;
(2024)
Effects of Electric Field on Chemical Looping Combustion: A DFT Study of CO Oxidation on CuO (111) Surface.
ACS Omega
10.1021/acsomega.4c00743.
(In press).
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Bai, Zhongze;
Jiang, Xi Zhuo;
Luo, Kai H;
(2023)
Theoretical exploration on the performance of single and dual-atom Cu catalysts on the CO₂ electroreduction process: a DFT study.
Physical Chemistry Chemical Physics
10.1039/d3cp02403b.
(In press).
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Bai, Zhongze;
Jiang, Xi Zhuo;
Luo, Kai H;
(2023)
elcome@12Impact of oxygen and nitrogen-containing species on performance of NO removal by coal pyrolysis gas.
Process Safety and Environmental Protection
, 173
pp. 229-236.
10.1016/j.psep.2023.03.007.
(In press).
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Bai, Zhongze;
Jiang, Xi Zhuo;
Luo, Kai H;
(2023)
Effects of nitrogen-free species on NO removal performance by coal pyrolysis gas via reactive molecular dynamics simulations.
Journal of the Energy Institute
, 107
, Article 101172. 10.1016/j.joei.2023.101172.
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Bai, Zhongze;
Jiang, Xi Zhuo;
Luo, Kai H;
(2022)
A reactive molecular dynamics study of NO removal by nitrogen-containing species in coal pyrolysis gas.
Proceedings of the Combustion Institute
10.1016/j.proci.2022.07.154.
(In press).
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Bai, Zhongze;
Luo, Kai H;
(2025)
Mechanistic study of Hg⁰ oxidation over LaMnO₃ oxygen carrier during chemical looping combustion.
Chemical Engineering Journal
, 520
, Article 166154. 10.1016/j.cej.2025.166154.
(In press).
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Bai, Zhongze;
Luo, Kai H;
(2025)
Mechanisms for interactions of H₂S and Hg⁰ with oxygen carrier LaMnO₃ during chemical looping combustion: a DFT study.
Carbon Capture Science & Technology
, 16
, Article 100480. 10.1016/j.ccst.2025.100480.
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Bai, Zhongze;
Zhi, Zhuo;
Jiang, Xi Zhuo;
Luo, Kai H;
(2025)
Rational Design of Dual-Atom Catalysts for Electrochemical CO2 Reduction to C1 and C2 Products with High Activity and Selectivity: A Density Functional Theory Study.
Industrial & Engineering Chemistry Research
, 64
(8)
pp. 4378-4387.
10.1021/acs.iecr.4c04831.
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Bonaccorso, F;
Succi, S;
Lauricella, M;
Montessori, A;
Tiribocchi, A;
Luo, KH;
(2020)
Shear dynamics of confined bijels.
AIP Advances
, 10
(9)
, Article 095304. 10.1063/5.0021016.
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Chang, Xiaoya;
Wen, Mingjie;
Chu, Qingzhao;
Luo, Kai H;
Chen, Dongping;
(2024)
Fully resolved simulations of micro-unit composite fuel in hydroxyl-terminated polybutadiene (HTPB): Al@AP.
Chemical Engineering Journal
, 497
, Article 154783. 10.1016/j.cej.2024.154783.
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Chen, Jin;
Wang, Geng;
Yang, Junyu;
Lei, Timan;
Luo, Kai H;
(2023)
Pore-scale study of miscible density instability with viscosity contrast in porous media.
Physics of Fluids
, 35
(9)
, Article 094104. 10.1063/5.0161872.
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Chen, Jiying;
Chu, Zedong;
Zhao, Rui;
Luo, Alexander F;
Luo, Kai H;
(2022)
Output prediction of alpha-type Stirling engines using gradient boosted regression trees and corresponding heat recovery system optimization based on improved NSGA-II.
Energy Reports
, 8
(5)
pp. 835-846.
10.1016/j.egyr.2022.02.244.
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Chen, S;
Luo, KH;
Jain, AK;
Singh, D;
McGlinchey, D;
(2023)
Natural convection of large Prandtl number fluids: A controversy answered by a new thermal lattice Boltzmann model.
Case Studies in Thermal Engineering
, 44
, Article 102827. 10.1016/j.csite.2023.102827.
(In press).
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Chen, D;
Luo, KH;
(2020)
Reactive sites on the surface of polycyclic aromatic hydrocarbon clusters: A numerical study.
Combustion and Flame
, 211
pp. 362-373.
10.1016/j.combustflame.2019.09.034.
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Chen, Y;
Stein, OT;
Kronenburg, A;
Xing, J;
Luo, K;
Luo, KH;
Hasse, C;
(2020)
Analysis of Gas-Assisted Pulverized Coal Combustion in Cambridge Coal Burner CCB1 Using FPV-LES.
Energy and Fuels
, 34
(6)
pp. 7477-7489.
10.1021/acs.energyfuels.0c00317.
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Chen, Y;
Yao, T;
Wang, Q;
Luo, KH;
(2019)
Large eddy simulation of impinging flames: Unsteady ignition and flame propagation.
Fuel
, 255
, Article 115734. 10.1016/j.fuel.2019.115734.
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Cheng, C;
Shen, D;
Gu, S;
Luo, KH;
(2018)
State-of-the-art catalytic hydrogenolysis of lignin for the production of aromatic chemicals.
Catalysis Science & Technology
, 8
(24)
pp. 6275-6296.
10.1039/C8CY00845K.
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Cheng, C;
Wang, J;
Shen, D;
Xue, J;
Guan, S;
Gu, S;
Luo, KH;
(2017)
Catalytic oxidation of lignin in solvent systems for production of renewable chemicals: A review.
Polymers
, 9
(6)
, Article 240. 10.3390/polym9060240.
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Chu, Q;
Shi, B;
Liao, L;
Zhou, Y;
Luo, KH;
Wang, N;
(2020)
Size-derived reaction mechanism of core-shell aluminum nanoparticle.
Applied Physics Letters
, 117
(13)
, Article 133902. 10.1063/5.0015367.
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Chu, Qingzhao;
Luo, Kai H;
Chen, Dongping;
(2022)
Exploring Complex Reaction Networks Using Neural Network-Based Molecular Dynamics Simulation.
The Journal of Physical Chemistry Letters
, 13
(18)
pp. 4052-4057.
10.1021/acs.jpclett.2c00647.
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Chu, Q;
Shi, B;
Liao, L;
Luo, KH;
Wang, N;
Huang, C;
(2018)
Ignition and Oxidation of Core-Shell Al/Al2O3 Nanoparticles in an Oxygen Atmosphere: Insights from Molecular Dynamics Simulation.
Journal of Physical Chemistry C
, 122
(51)
pp. 29620-29627.
10.1021/acs.jpcc.8b09858.
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Chu, Q;
Shi, B;
Liao, L;
Zou, X;
Luo, KH;
Wang, N;
(2020)
Reaction Mechanism of the Aluminum Nanoparticle: Physicochemical Reaction and Heat/Mass Transfer.
The Journal of Physical Chemistry C
, 124
(6)
pp. 3886-3894.
10.1021/acs.jpcc.9b11410.
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De Rosis, A;
Luo, KH;
(2019)
Role of higher-order Hermite polynomials in the central-moments-based lattice Boltzmann framework.
Physical Review E
, 99
(1)
, Article 013301. 10.1103/PhysRevE.99.013301.
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Deng, K;
Zhong, Y;
Wang, M;
Zhong, Y;
Luo, KH;
(2020)
Effects of Acoustic Excitation on the Combustion Instability of Hydrogen–Methane Lean Premixed Swirling Flames.
ACS Omega
10.1021/acsomega.0c00287.
(In press).
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Dinesh, KKJR;
Shalaby, H;
Luo, KH;
van Oijen, JA;
Thevenin, D;
(2017)
Heat release rate variations in high hydrogen content premixed syngas flames at elevated pressures: Effect of equivalence ratio.
International Journal of Hydrogen Energy
, 42
(10)
pp. 7029-7044.
10.1016/j.ijhydene.2016.11.205.
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Dinesh, KKJR;
van Oijen, JA;
Luo, KH;
Jiang, X;
(2015)
Nitric oxide pollutant formation in high hydrogen content (HHC) syngas flames.
International Journal of Hydrogen Energy
, 40
(39)
pp. 13621-13634.
10.1016/j.ijhydene.2015.08.068.
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Ding, Ziheng;
Li, Ruixin;
Luo, Kai H;
(2025)
LBM studies on oxygen bubble transport in porous transport layers and flow channel of proton exchange membrane water electrolyzers.
Journal of Power Sources
, 642
, Article 236959. 10.1016/j.jpowsour.2025.236959.
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Dong, NH;
Luo, KH;
Wang, Q;
(2017)
Modeling of biomass pyrolysis in a bubbling fluidized bed reactor: Impact of intra-particle heat conduction.
Fuel Processing Technology
, 161
pp. 199-203.
10.1016/j.fuproc.2016.09.015.
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Fei, L;
Yang, J;
Chen, Y;
Mo, H;
Luo, KH;
(2020)
Mesoscopic simulation of three-dimensional pool boiling based on a phase-change cascaded lattice Boltzmann method.
Physics of Fluids
, 32
(10)
, Article 103312. 10.1063/5.0023639.
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Fei, Linlin;
Puglisi, Andrea;
Succi, Sauro;
Luo, Kai H;
(2023)
On the flow of soft suspensions through orifices.
Computers & Fluids
, 263
, Article 105958. 10.1016/j.compfluid.2023.105958.
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Fei, Linlin;
Qin, Feifei;
Wang, Geng;
Huang, Jingwei;
Wen, Binghai;
Zhao, Jianlin;
Luo, Kai H;
... Carmeliet, Jan; + view all
(2023)
Coupled lattice Boltzmann method–discrete element method model for gas–liquid–solid interaction problems.
Journal of Fluid Mechanics
, 975
, Article A20. 10.1017/jfm.2023.822.
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Fei, Linlin;
Qin, Feifei;
Wang, Geng;
Luo, Kai H;
Derome, Dominique;
Carmeliet, Jan;
(2022)
Droplet evaporation in finite-size systems: Theoretical analysis and mesoscopic modeling.
Physical Review E
, 105
(2)
, Article 025101. 10.1103/physreve.105.025101.
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Fei, L;
Du, J;
Luo, KH;
Succi, S;
Lauricella, M;
Montessori, A;
Wang, Q;
(2019)
Modeling realistic multiphase flows using a non-orthogonal multiple-relaxation-time lattice Boltzmann method.
Physics of Fluids
, 31
(4)
, Article 042105. 10.1063/1.5087266.
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Fei, L;
Luo, KH;
(2018)
Cascaded lattice Boltzmann method for thermal flows on standard lattices.
International Journal of Thermal Sciences
, 132
pp. 368-377.
10.1016/j.ijthermalsci.2018.06.017.
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Fei, L;
Luo, KH;
(2018)
Cascaded lattice Boltzmann method for incompressible thermal flows with heat sources and general thermal boundary conditions.
Computers and Fluids
, 165
pp. 89-95.
10.1016/j.compfluid.2018.01.020.
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Fei, L;
Luo, KH;
(2017)
Consistent forcing scheme in the cascaded lattice Boltzmann method.
Physical Review E
, 96
(5)
, Article 053307. 10.1103/PhysRevE.96.053307.
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Fei, L;
Luo, KH;
Li, Q;
(2018)
Three-dimensional cascaded lattice Boltzmann method: Improved implementation and consistent forcing scheme.
Physical Review E
, 97
(5)
, Article 053309. 10.1103/PhysRevE.97.053309.
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Fei, L;
Luo, KH;
Lin, C;
Li, Q;
(2018)
Modeling incompressible thermal flows using a central-moments-based lattice Boltzmann method.
International Journal of Heat and Mass Transfer
, 120
pp. 624-634.
10.1016/j.ijheatmasstransfer.2017.12.052.
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Fei, L;
Scagliarini, A;
Luo, KH;
Succi, S;
(2019)
Discrete fluidization of dense monodisperse emulsions in neutral wetting microchannels.
Soft Matter
10.1039/c9sm02331c.
(In press).
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Fei, L;
Scagliarini, A;
Montessori, A;
Lauricella, M;
Succi, S;
Luo, K;
(2018)
Mesoscopic model for soft flowing systems with tunable viscosity ratio.
Physical Review Fluids
, 3
(10)
, Article 104304. 10.1103/PhysRevFluids.3.104304.
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Feng, Kai;
Tian, Jiaming;
Zhang, Jiajun;
Li, Zhengwen;
Chen, Yuxin;
Luo, Kai Hong;
Yang, Bin;
(2022)
Dual Functionalized Interstitial N Atoms in Co3Mo3N Enabling CO2 Activation.
ACS Catalysis
, 12
(8)
pp. 4696-4706.
10.1021/acscatal.2c00583.
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Feng, Kai;
Zhang, Jiajun;
Li, Zhengwen;
Liu, Xiaozhi;
Pan, Yue;
Wu, Zhiyi;
Tian, Jiaming;
... Yan, Binhang; + view all
(2024)
Spontaneous regeneration of active sites against catalyst deactivation.
Applied Catalysis B: Environment and Energy
, 344
, Article 123647. 10.1016/j.apcatb.2023.123647.
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Feng, M;
Li, H;
Luo, KH;
(2021)
A molecular dynamics study on oxidation of aluminum hydride (AlH₃)/hydroxyl-terminated polybutadiene (HTPB) solid fuel.
Proceedings of the Combustion Institute
, 38
(3)
pp. 4469-4476.
10.1016/j.proci.2020.09.023.
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Feng, Muye;
Ma, Xiaotong;
Zhang, Zeyun;
Luo, Kai H;
Sun, Chao;
Xu, Xuefei;
(2022)
How sodium chloride extends lifetime of bulk nanobubbles in water.
Soft Matter
, 18
(15)
pp. 2968-2978.
10.1039/d2sm00181k.
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Feng, Muye;
Wang, Yi;
Hou, Dingyu;
Li, Heping;
Luo, Kai H;
Xu, Xuefei;
(2024)
Atomistic insights into two-stage combustion of a single boron nanoparticle via reactive molecular dynamics.
Fuel
, 375
, Article 132628. 10.1016/j.fuel.2024.132628.
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Feng, Muye;
Wang, Yi;
Luo, Kai H;
(2022)
Atomistic insight into enhanced thermal decomposition of energetic material on graphene oxide.
Proceedings of the Combustion Institute
10.1016/j.proci.2022.07.047.
(In press).
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Feng, M;
Jiang, XZ;
Luo, KH;
(2019)
A reactive molecular dynamics simulation study of methane oxidation assisted by platinum/graphene-based catalysts.
Proceedings of the Combustion Institute
, 37
(4)
pp. 5473-5480.
10.1016/j.proci.2018.05.109.
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Feng, M;
Jiang, XZ;
Mao, Q;
Luo, KH;
Hellier, P;
(2019)
Initiation mechanisms of enhanced pyrolysis and oxidation of JP-10 (exo-tetrahydrodicyclopentadiene) on functionalized graphene sheets: Insights from ReaxFF molecular dynamics simulations.
Fuel
, 254
, Article 115643. 10.1016/j.fuel.2019.115643.
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Feng, M;
Jiang, XZ;
Zeng, W;
Luo, KH;
Hellier, P;
(2018)
Ethanol oxidation with high water content: A reactive molecular dynamics simulation study.
Fuel
, 235
pp. 515-521.
10.1016/j.fuel.2018.08.040.
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Feng, M;
Li, H;
Mao, Q;
Luo, KH;
Hellier, P;
(2019)
Fundamental Study on Mechanisms of Thermal Decomposition and Oxidation of Aluminum Hydride.
The Journal of Physical Chemistry C
, 123
(40)
pp. 24436-24445.
10.1021/acs.jpcc.9b07118.
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Fu, Y-H;
Bai, L;
Luo, K-H;
Jin, Y;
Cheng, Y;
(2017)
Modeling mass transfer and reaction of dilute solutes in a ternary phase system by the lattice Boltzmann method.
Physical Review E
, 95
(4)
, Article 043304. 10.1103/PhysRevE.95.043304.
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Gao, Jingqi;
He, Ruitian;
Luo, Kai H;
(2024)
Comparative study of the reductive decomposition reaction of ethylene carbonate in lithium battery electrolyte: a ReaxFF molecular dynamics study.
Physical Chemistry Chemical Physics
, 26
(33)
pp. 22189-22207.
10.1039/d3cp05626k.
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Gao, Jingqi;
Wang, Geng;
Luo, Kai H;
(2024)
Formation of solid electrolyte interphase in Li-ion batteries: Insights from temperature-accelerated ReaxFF molecular dynamics.
Applied Energy
, 371
, Article 123708. 10.1016/j.apenergy.2024.123708.
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Gong, Y;
Luo, KH;
Ma, X;
Shuai, S;
Xu, H;
(2021)
Atomic-level insights into transition mechanism of dominant mixing modes of multi-component fuel droplets: From evaporation to diffusion.
Fuel
, 304
, Article 121464. 10.1016/j.fuel.2021.121464.
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Gong, Y;
Ma, X;
Xiao, G;
Luo, K;
Xu, H;
Shuai, S;
(2022)
Simulation on Phase Transitions of Multi-Component Fuel Droplets Under Sub- and Supercritical Conditions.
Neiranji Xuebao/Transactions of CSICE (Chinese Society for Internal Combustion Engines)
, 40
(6)
pp. 519-527.
10.16236/j.cnki.nrjxb.202206065.
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Gong, Y;
Xiao, G;
Ma, X;
Luo, KH;
Shuai, S;
Xu, H;
(2021)
Phase transitions of multi-component fuel droplets under sub- and supercritical conditions.
Fuel
, 287
, Article 119516. 10.1016/j.fuel.2020.119516.
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Gong, Yifei;
Ma, Xiao;
Luo, Kai Hong;
Xu, Hongming;
Shuai, Shijin;
(2022)
A molecular dynamics study of evaporation mode transition of hydrocarbon fuels under supercritical conditions.
Combustion and Flame
, 246
, Article 112397. 10.1016/j.combustflame.2022.112397.
(In press).
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Gong, Yifei;
Ma, Xiao;
Luo, Kai Hong;
Xu, Hongming;
Shuai, Shijin;
(2022)
A molecular dynamics study of evaporation of multicomponent stationary and moving fuel droplets in multicomponent ambient gases under supercritical conditions.
Energy
, 258
, Article 124838. 10.1016/j.energy.2022.124838.
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Han, K;
Wang, Q;
Zhao, J;
Luo, KH;
Li, H;
Chen, Y;
Lu, C;
(2016)
Combustion pattern, characteristics, and kinetics of biomass and chars from segmented heating carbonization.
Asia-Pacific Journal of Chemical Engineering
, 11
(5)
pp. 812-822.
10.1002/apj.2016.
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He, R;
Gao, J;
Luo, KH;
(2025)
Size effects of precursor droplets on lithium-based nanomaterial synthesis using flame spray pyrolysis.
Energy
, 335
, Article 138010. 10.1016/j.energy.2025.138010.
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He, Ruitian;
Luo, Kai H;
(2024)
Atomistic insights into role of urea additive in lithium nanoparticles formation.
Chemical Engineering Journal
, 497
, Article 154822. 10.1016/j.cej.2024.154822.
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He, Ruitian;
Luo, Kai H;
(2024)
Mechanisms of microexplosion-accelerated pyrolysis and oxidation of lithium-containing droplets: an atomistic perspective.
Nanoscale
, 16
(34)
pp. 16119-16126.
10.1039/d4nr00592a.
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Hou, D;
Wang, G;
Gao, J;
Luo, KH;
(2023)
Molecular dynamics study on evaporation of metal nitrate-containing nanodroplets in flame spray pyrolysis.
Nanoscale
, 15
(12)
pp. 5877-5890.
10.1039/d3nr00060e.
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Hou, Dingyu;
Feng, Muye;
Wei, Jili;
Wang, Yi;
van Duin, Adri CT;
Luo, Kai H;
(2022)
A reactive force field molecular dynamics study on the inception mechanism of titanium tetraisopropoxide (TTIP) conversion to titanium clusters.
Chemical Engineering Science
, 252
, Article 117496. 10.1016/j.ces.2022.117496.
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Hou, Dingyu;
Mao, Qian;
Ren, Yihua;
Luo, Kai H;
(2023)
Atomic insights into mechanisms of carbon coating on titania nanoparticle during flame synthesis.
Carbon
, 201
pp. 189-199.
10.1016/j.carbon.2022.09.002.
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Ji, Y;
Hosseini, SA;
Dorschner, B;
Luo, KH;
Karlin, IV;
(2024)
Eulerian discrete kinetic framework in comoving reference frame for hypersonic flows.
Journal of Fluid Mechanics
, 983
, Article A11. 10.1017/jfm.2024.94.
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Ji, Yu;
Lin, Chuandong;
Luo, Kai H;
(2022)
A three-dimensional discrete Boltzmann model for steady and unsteady detonation.
Journal of Computational Physics
, 455
, Article 111002. 10.1016/j.jcp.2022.111002.
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Ji, Y;
Lin, C;
Luo, KH;
(2021)
Three-dimensional multiple-relaxation-time discrete Boltzmann model of compressible reactive flows with nonequilibrium effects.
AIP Advances
, 11
(4)
, Article 045217. 10.1063/5.0047480.
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Jiang, XZ;
Luo, KH;
Ventikos, Y;
(2021)
Understanding the Role of Endothelial Glycocalyx in Mechanotransduction via Computational Simulation: A Mini Review.
Frontiers in Cell and Developmental Biology
, 9
, Article 732815. 10.3389/fcell.2021.732815.
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Jiang, XZ;
Feng, M;
Luo, KH;
Ventikos, Y;
(2018)
Large-scale molecular dynamics simulation of flow under complex structure of endothelial glycocalyx.
Computers and Fluids
, 173
pp. 140-146.
10.1016/j.compfluid.2018.03.014.
(In press).
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Jiang, XZ;
Feng, M;
Ventikos, Y;
Luo, KH;
(2018)
Regimes of Flow over Complex Structures of Endothelial Glycocalyx: A Molecular Dynamics Simulation Study.
Scientific Reports
, 8
(1)
, Article 5732. 10.1038/s41598-018-24041-7.
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Jiang, XZ;
Feng, M;
Zeng, W;
Luo, KH;
(2018)
Study of mechanisms for electric field effects on ethanol oxidation via reactive force field molecular dynamics.
Proceedings of the Combustion Institute
10.1016/j.proci.2018.07.053.
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Annals of Biomedical Engineering
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Biorheology
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Reactive and electron force field molecular dynamics simulations of electric field assisted ethanol oxidation reactions.
Proceedings of the Combustion Institute
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Microvascular Ion Transport through Endothelial Glycocalyx Layer: New Mechanism and Improved Starling Principle.
American Journal of Physiology: Heart and Circulatory Physiology
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The Journal of Chemical Physics
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Dynamics of Triple-flames in Ignition of Turbulent Dual Fuel Mixture: a Direct Numerical Simulation Study.
Proceedings of the Combustion Institute
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Applied Energy
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Lattice Boltzmann Simulation of Multicomponent Porous Media Flows With Chemical Reaction.
Frontiers in Physics
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Pore-scale simulation of miscible viscous fingering with dissolution reaction in porous media.
Physics of Fluids
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Carbon Capture Science and Technology
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Combustion and Flame
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Proceedings of the Combustion Institute
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Journal of Fluid Mechanics
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Pore-scale study of CO2 desublimation and sublimation in a packed bed during cryogenic carbon capture.
Journal of Fluid Mechanics
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Chemical Engineering Journal
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Physical Review Fluids
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Generalized lattice Boltzmann model for frosting.
Physical Review E
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Physical Review E
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Carmeliet, Jan;
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Coupled phase-field lattice Boltzmann method and discrete element method for gas–liquid–solid multiphase flows.
Physics of Fluids
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Nucleate boiling enhancement by structured surfaces with distributed wettability-modified regions: A lattice Boltzmann study.
Applied Thermal Engineering
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Decoupling Active Sites Enables Low-Temperature Semihydrogenation of Acetylene.
ACS Catalysis
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Simulation of indoor harmful gas dispersion and airflow using three-dimensional lattice Boltzmann method based large-eddy simulation.
AIP Advances
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Fei, LL;
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Computers & Fluids
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Lattice Boltzmann modeling of boiling heat transfer: The boiling curve and the effects of wettability.
International Journal of Heat and Mass Transfer
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Applied Thermal Engineering
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Progress in Energy and Combustion Science
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Physical Review E
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Communications in Theoretical Physics
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International Journal of Modern Physics C: Computational Physics and Physical Computation
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Kinetic Simulation of Unsteady Detonation with Thermodynamic Nonequilibrium Effects.
Combustion, Explosion and Shock Waves
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Discrete Boltzmann modeling of unsteady reactive flows with nonequilibrium effects.
Physical Review E
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MRT discrete Boltzmann method for compressible exothermic reactive flows.
Computers and Fluids
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A multi-component discrete Boltzmann model for nonequilibrium reactive flows.
Scientific Reports
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Multiple-relaxation-time discrete Boltzmann modeling of multicomponent mixture with nonequilibrium effects.
Physical Review E
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Physical Review E
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Kinetic Simulation of Nonequilibrium Kelvin-Helmholtz Instability.
Communications in Theoretical Physics
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Thermodynamic Nonequilibrium Features in Binary Diffusion.
Communications in Theoretical Physics
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Effects of the electric field on soot formation in combustion: A coupled charged particle PBE-CFD framework.
Combustion and Flame
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Zhu, Lei;
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Modelling of laminar diffusion flames with biodiesel blends and soot formation.
Fuel
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Luo, Kun;
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Large eddy simulation of soot formation in a turbulent lifted flame with a discretized population balance and a reduced kinetic mechanism.
Physics of Fluids
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Multi-GPU accelerated lattice Boltzmann modelling of three-dimensional solid-liquid phase change at high Rayleigh numbers.
Journal of Energy Storage
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Multi-GPU accelerated lattice Boltzmann modelling of melting performance for phase change material-metal foam composite considering interfacial thermal resistance.
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A technical method to improve NOx/NH3 mixing ratio in SCR system and its engineering applications.
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Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
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An Artificial Activity Coefficient Model for Emulating Combustion and Physical Property Variations During Evaporation of Liquid Complex Fuel Droplet.
International Journal of Thermophysics
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Reducing Salt Intake and Exercising Regularly: Implications From Molecular Dynamics Simulations of Endothelial Glycocalyx.
Frontiers in Physiology
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Molecular conformational effects in H + n -heptane reaction rate calculations.
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A molecular dynamics study of fuel droplet evaporation in sub- and supercritical conditions.
Proceedings of the Combustion Institute
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Liquid fuel evaporation under supercritical conditions.
Communications in Computational Physics
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Direct numerical simulation study of hydrogen/air auto-ignition in turbulent mixing layer at elevated pressures.
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Classical and reactive molecular dynamics: Principles and applications in combustion and energy systems.
Progress in Energy and Combustion Science
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Dimerization of Polycyclic Aromatic Hydrocarbon Molecules and Radicals under Flame Conditions.
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Sintering-Induced Phase Transformation of Nanoparticles: A Molecular Dynamics Study.
Journal of Physical Chemistry C
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Journal of Chemical Physics
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Investigation of methane oxidation by palladium-based catalyst via ReaxFF Molecular Dynamics simulation.
Proceedings of the Combustion Institute
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Physical Chemistry Chemical Physics
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Reaction mechanisms of coal gasification in supercritical water with CO₂ transport agent: A ReaxFF molecular dynamics study.
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Specificity Switching Pathways in Thermal and Mass Evaporation of Multicomponent Hydrocarbon Droplets: A Mesoscopic Observation.
Scientific Reports
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Lattice Boltzmann modeling and simulation of forced-convection boiling on a cylinder.
Physics of Fluids
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Regimes of Head-On Collisions of Equal-Sized Binary Droplets.
Langmuir
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10.1021/acs.langmuir.8b04277.
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Zhang, YR;
van Duin, ACT;
Luo, KH;
(2018)
Investigation of ethanol oxidation over aluminum nanoparticle using ReaxFF molecular dynamics simulation.
Fuel
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10.1016/j.fuel.2018.06.119.
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Zhang, ZH;
Luo, KH;
Chen, Y;
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非平衡等离子点火 中放电过程的数值模拟 = Numerical simulation of discharge process in nonequilibrium plasma assisted ignition.
工 程 热 物 理 学 报 = Journal of Engineering Thermophysics
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Zhao, J;
Wang, Z;
Shen, D;
Wu, C;
Luo, K;
Gu, S;
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Coked Ni/Al2O3 from the catalytic reforming of volatiles from co-pyrolysis of lignin and polyethylene: preparation, identification and application as a potential adsorbent.
Catalysis Science & Technology
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Zhao, W;
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Flame–spray interaction and combustion features in split-injection spray flames under diesel engine-like conditions.
Combustion and Flame
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10.1016/j.combustflame.2019.08.031.
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Zhou, J;
Zhang, J;
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Mechanisms for kerogen wettability transition from water-wet to CO2-wet:
Implications for CO2 sequestration.
Chemical Engineering Journal
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Zhou, L;
Zhang, X;
Luo, KH;
Wei, H;
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End-gas autoignition and detonation in confined space.
Progress in Energy and Combustion Science
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Zhou, L;
Zhao, W;
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Spray–turbulence–chemistry interactions under engine-like conditions.
Progress in Energy and Combustion Science
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Zhou, J;
Jin, Z;
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The role of brine in gas adsorption and dissolution in kerogen nanopores for enhanced gas recovery and CO₂ sequestration.
Chemical Engineering Journal
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Zhou, J;
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Insights into recovery of multi-component shale gas by CO2 injection: A molecular perspective.
Fuel
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Zhou, J;
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Luo, KH;
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Effects of Moisture Contents on Shale Gas Recovery and CO2 Sequestration.
Langmuir
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Zhou, J;
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Effects of Moisture and Salinity on Methane Adsorption in Kerogen: A Molecular Simulation Study.
Energy and Fuels
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10.1021/acs.energyfuels.9b00392.
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Shuai, SJ;
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Large eddy simulation of spray and combustion characteristics with realistic chemistry and high-order numerical scheme under diesel engine-like conditions.
Energy Conversion and Management
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Triple-emission nitrogen and boron co-doped carbon quantum dots from lignin: Highly fluorescent sensing platform for detection of hexavalent chromium ions.
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Zhu, L;
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Green Synthesis of Tunable Fluorescent Carbon Quantum Dots from Lignin and Their Application in Anti-Counterfeit Printing.
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Zhu, Lingli;
Shen, Dekui;
Hong Luo, Kai;
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Lignin-derived carbon quantum dots-decorated Bi7O9I3 nanosheets with enhanced photocatalytic performance: Synergism of electron transfer acceleration and molecular oxygen activation.
Applied Surface Science
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Zhu, Lingli;
Shen, Dekui;
Liu, Qian;
Luo, Kai Hong;
Li, Chong;
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Mild Acidolysis-Assisted Hydrothermal Carbonization of Lignin for Simultaneous Preparation of Green and Blue Fluorescent Carbon Quantum Dots.
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Fabrication of Z-scheme Bi7O9I3/g-C3N4 heterojunction modified by carbon quantum dots for synchronous photocatalytic removal of Cr (VI) and organic pollutants.
Journal of Hazardous Materials
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Zhu, L;
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A critical review on VOCs adsorption by different porous materials: Species, mechanisms and modification methods.
Journal of Hazardous Materials
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Flame evolution in shock-accelerated flow under different reactive gas mixture gradients.
Physical Review E
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Three-dimensional shock-sulfur hexafluoride bubble interaction.
AIP Advances
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Pan, J;
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Numerical investigation of planar shock wave impinging on spherical gas bubble with different densities.
Physics of Fluids
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Proceedings paper
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Chu, Q;
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Shi, B;
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Wang, N;
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A molecular dynamics simulation on the oxidation of core-shell aluminum nanoparticles in oxygen and water environments.
In:
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Asia-Pacific Conference on Combustion (ASPACC): Fukuoka, Japan.
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Huang, Z;
Long, J;
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Molecular Dynamics Investigation of Wettability Transition of Copper and Design of a Durable Superwetting Structure.
In:
Proceedings of ASME 2024 7th International Conference on Micro/Nanoscale Heat and Mass Transfer, MNHMT 2024.
American Society of Mechanical Engineers
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Direct numerical simulation of H2 effect on autoignition of DME/Air mixture under HCCI engine conditions.
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Combustion Institute, The University of Sydney: Sydney, Australia.
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Ranga Dinesh, KKJ;
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DNS of turbulent lean premixed syngas flames at elevated pressures.
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Springer: Cham, Switzerland.
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Shi, GT;
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Yao, XT;
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Effect of gas volume fraction on vortex motion in hydraulic turbine.
In:
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IOP: Beijing, China.
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Shi, GT;
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Study on the distribution regularity of gas volume in multiphase pump.
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IOP: Beijing, China.
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Shi, GT;
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Effect of gas volume fraction on the vortex motion within the oil-gas multiphase pump.
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IOP: Beijing, China.
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Numerical investigation of dump diffuser combustor performance at uniform and non-uniform inlet conditions.
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Yang, J;
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Effects of Perforation Shapes on Water Transport in PEMFC Gas Diffusion Layers.
In:
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Auto-ignition in turbulent combustion of hydrogen/air mixing layer at high pressure.
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Asia-Pacific Conference on Combustion (ASPACC): Fukuoka, Japan.
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Zhang, ZH;
Abdelsamie, A;
Thévenin, D;
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DNS of a diffusional jet flame in turbulent cross-flow using a low Mach number solver.
In:
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Asia-Pacific Conference on Combustion (ASPACC): Fukuoka, Japan.
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DNS of premixed turbulent hydrogen flames in distributed burning regime.
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Conference item
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Jiang, X;
Vardakis, I;
Ventikos, Y;
Luo, K;
(2018)
Exploring the Dynamics of Endothelial Glycocalyx Under Flow Shear Stress via Large-Scale Molecular Dynamics Simulations.
Presented at: 8th World Congress of Biomechanics, Dublin, Ireland.
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