1992 …2022
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Research Output 1992 2019

2019
9 Downloads (Pure)

Anomalous heat transport in binary hard-sphere gases

Moir, C., Lue, L., Gale, J. D., Raiteri, P. & Bannerman, M. N., 29 Mar 2019, In : Physical Review E. 99, 3, 5 p., 030102.

Research output: Contribution to journalArticle

Open Access
File
Heat Transport
Hard Spheres
Thermal Conductivity
Anomalous
Thermal conductivity
11 Downloads (Pure)

Experimental study on the influences of operating parameters on the retention of potassium during the biomass combustion

Cao, W., Peshkur, T., Lue, L. & Li, J., 28 Feb 2019, In : Energy Procedia. 158, p. 1033-1038 6 p.

Research output: Contribution to journalConference article

Open Access
File
Potassium
Biomass
Heating rate
Ashes
Temperature

Heat transfer behaviour of a wheat straw pellet undergoing pyrolysis

Martí-Rosselló, T., Li, J., Lue, L., Kärlstrom, O. & Brink, A., 3 Jun 2019, (Accepted/In press). 6 p.

Research output: Contribution to conferencePaper

Straw
Pyrolysis
Heat transfer
Biomass
Temperature distribution
1 Citation (Scopus)

Interaction between charged lipid vesicles and point- or rod-like trivalent ions

Martin-Molina, A., Lue, L., Quesada-Perez, M. & Bohinc, K., 1 Jun 2019, In : Colloids and Surfaces B: Biointerfaces. 178, p. 525-529 5 p.

Research output: Contribution to journalArticle

Open Access
File
trivalent ions
Lanthanum
Lipids
Spermidine
lipids
4 Citations (Scopus)

Prediction of potassium compounds released from biomass during combustion

Cao, W., Martí-Rosselló, T., Li, J. & Lue, L., 15 Sep 2019, In : Applied Energy. 250, p. 1696-1705 10 p.

Research output: Contribution to journalArticle

Potassium Compounds
Potassium compounds
Potassium
Biomass
potassium
2 Citations (Scopus)
26 Downloads (Pure)

The dielectric constant: reconciling simulation and experiment

Jorge, M. & Lue, L., 26 Feb 2019, In : Journal of Chemical Physics. 150, 8, 084108.

Research output: Contribution to journalArticle

Open Access
File
Permittivity
permittivity
lead compounds
scaling
simulation
6 Downloads (Pure)

The effect of particle aspect ratio on spatially and angularly resolved vis-NIR spectroscopy of suspensions

Stoliarskaia, D., Thomson, K., Lue, L. & Chen, Y-C., 25 Jul 2019, Optical Methods for Inspection, Characterization, and Imaging of Biomaterials IV. Ferraro, P., Grilli, S., Ritsch-Marte, M. & Hitzenberger, C. K. (eds.). Bellingham, Washington, Vol. 11060. 7 p. 1106019

Research output: Chapter in Book/Report/Conference proceedingConference contribution book

Open Access
File
aspect ratio
spectroscopy
reflectance
optical properties
ellipsoids

The giant SALR cluster fluid: a review

Sweatman, M. B. & Lue, L., 30 Jul 2019, In : Advanced Theory and Simulations. 2, 7, 14 p., 1900025.

Research output: Contribution to journalLiterature review

Fluids
Polyelectrolytes
Nanoparticles
1 Downloads (Pure)
Crystallization
Washing
Acetaminophen
Pharmaceutical Preparations
Impurities
2018
1 Citation (Scopus)
7 Downloads (Pure)

A diagrammatic analysis of the variational perturbation method for classical fluids

Lue, L., 13 Jun 2018, In : Soft Matter. 14, p. 4721-4734

Research output: Contribution to journalArticle

Open Access
File
perturbation
Statistical mechanics
Fluids
fluids
Coulomb interactions
51 Downloads (Pure)

Effect of particle size distribution on spatially and angularly resolved diffuse reflectance measurement

Chen, Y-C., Tiernan-Vandermotten, S., Lue, L., Ferreira, C. S., Sefcik, J. & Thennadil, S., 28 Feb 2018, In : European Pharmaceutical Review. 23, 1, p. 34-37 4 p.

Research output: Contribution to journalArticle

Open Access
File
Drug Compounding
Near infrared spectroscopy
Near-Infrared Spectroscopy
Reflectometers
Particle Size

Effects of particle size distribution (PSD) on visible/near infrared spectra

Stoliarskaia, D., Lue, L. & Chen, Y-C., 18 Apr 2018.

Research output: Contribution to conferenceSpeech

14 Citations (Scopus)
53 Downloads (Pure)

Molecular dynamics investigation of the influence of the hydrogen bond networks in ethanol/water mixtures on dielectric spectra

Cardona, J., Sweatman, M. B. & Lue, L., 4 Jan 2018, In : Journal of Physical Chemistry B. 122, 4, p. 1505-1515 11 p.

Research output: Contribution to journalArticle

Open Access
File
Molecular dynamics
Hydrogen bonds
Ethanol
ethyl alcohol
hydrogen bonds
5 Citations (Scopus)
10 Downloads (Pure)
Open Access
File
Biomass
Pyrolysis
Derivatives
Kinetic parameters
Reaction kinetics
12 Downloads (Pure)

Structure and cluster formation in size asymmetric soft electrolyte

Duncan, P., Cardona, J. & Lue, L., 11 Sep 2018. 1 p.

Research output: Contribution to conferenceAbstract

Open Access
File
Electrostatics
Electrolytes
Charge distribution
Ions
Wavelength
10 Downloads (Pure)

Structure and cluster formation in size asymmetric soft electrolyte systems

Duncan, PM., Cardona-Amengual, J. & Lue, L., 3 Sep 2018. 1 p.

Research output: Contribution to conferencePoster

Open Access
File
15 Citations (Scopus)
57 Downloads (Pure)

Study on the ignition behavior and kinetics of combustion of biomass

Cao, W., Li, J. & Lue, L., 31 Jan 2018, In : Energy Procedia. 142, p. 136-141 6 p.

Research output: Contribution to journalArticle

Open Access
File
Straw
Ignition
Biomass
Particle size
Kinetics
3 Citations (Scopus)
11 Downloads (Pure)

Why different water models predict different structures under 2D confinement

Dix, J., Lue, L. & Carbone, P., 29 Oct 2018, In : Journal of Computational Chemistry . 39, 25, p. 2051-2059 9 p.

Research output: Contribution to journalArticle

Open Access
File
Water
Predict
Graphite
Graphene
Model
2017
10 Citations (Scopus)
84 Downloads (Pure)

A group contribution method for predicting the solubility of mercury

Khalifa, M. & Lue, L., 2017, In : Fluid Phase Equilibria. p. 76-84 9 p.

Research output: Contribution to journalArticle

Open Access
File
Mercury
solubility
Solubility
Equations of state
Paraffins
1 Citation (Scopus)
62 Downloads (Pure)

A non-electroneutral model for complex reaction-diffusion systems incorporating species interactions

Minton, G., Purkayastha, R. & Lue, L., 31 May 2017, In : Journal of the Electrochemical Society. 164, 11, p. E3276-E3290 15 p.

Research output: Contribution to journalArticle

Open Access
File
Electrolytes
Large scale systems
Chemical reactions
2 Citations (Scopus)
22 Downloads (Pure)

Foam front advance during improved oil recovery: similarity solutions at early times near the top of the front

Grassia, P., Lue, L., Torres-Ulloa, C. & Berres, S., 10 Oct 2017, In : Journal of Fluid Mechanics. 828, p. 527-572 46 p.

Research output: Contribution to journalArticle

Open Access
File
oil recovery
foams
Foams
Recovery
formulations
116 Downloads (Pure)

Kinetic analysis of biomass pyrolysis with a peak temperature method

Marti Rossello, T., Li, J. & Lue, L., 12 Jun 2017. 1 p.

Research output: Contribution to conferencePoster

Open Access
File
Biomass
Pyrolysis
Kinetics
Temperature
91 Downloads (Pure)
File
Ionic Liquids
Equations of state
Ionic liquids
Solubility
Fluids
9 Citations (Scopus)
39 Downloads (Pure)

Modelling the solubility of H2S and CO2 in ionic liquids using PC-SAFT equation of state

Al-fnaish, H. & Lue, L., 25 Oct 2017, In : Fluid Phase Equilibria. 450, p. 30-41 12 p.

Research output: Contribution to journalArticle

Open Access
File
Ionic Liquids
Equations of state
Ionic liquids
equations of state
solubility
5 Citations (Scopus)
15 Downloads (Pure)
Open Access
File
Graphite
Graphene
Molecular Dynamics
Oxides
Molecular dynamics

Simulation of diffuse reflectance for characterisation of particle suspensions

Thomson, K., Stoliarskaia, D., Tiernan-Vandermotten, S., Lue, L. & Chen, Y-C., 31 Jan 2017.

Research output: Contribution to conferenceSpeech

1 Citation (Scopus)
52 Downloads (Pure)

Simulation of diffuse reflectance for characterisation of particle suspensions

Thomson, K., Stoliarskaia, D., Tiernan-Vandermotten, S., Lue, L. & Chen, Y-C., 13 Mar 2017, Optical Diagnostics and Sensing XVII: Toward Point-of-Care Diagnostics. Coté, G. L. (ed.). Bellingham, Washington, Vol. 10072. 5 p. 100720X. (Proceedings of SPIE; vol. 10072).

Research output: Chapter in Book/Report/Conference proceedingConference contribution book

Open Access
File
reflectance
simulation
Mie scattering
scattering
radiative transfer
2016
73 Downloads (Pure)

Freezing properties of alkenyl succinic anhydrides derived from linear isomerised olefins

Sellars, P. B., Lue, L., Burns, I. S. & Work, D. N., 8 Feb 2016, In : Industrial and Engineering Chemistry Research. 55, 8, p. 2287–2292 6 p.

Research output: Contribution to journalArticle

Open Access
File
Succinic Anhydrides
Alkenes
Freezing
Olefins
Isomers
3 Citations (Scopus)
52 Downloads (Pure)

Interactions between charged surfaces mediated by stiff, multivalent zwitterionic polymers

Bohinc, K., Reščič, J. & Lue, L., 21 May 2016, In : Soft Matter. 12, 19, p. 4397-4405 10 p.

Research output: Contribution to journalArticle

Open Access
File
Polymers
polymers
interactions
zwitterions
Surface charge
117 Downloads (Pure)

Kinetic models for biomass pyrolysis

Martí Rosselló, T., Li, J. & Lue, L., 7 Dec 2016, In : Archives of Industrial Biotechnology. 1, 1, p. 4-7 4 p.

Research output: Contribution to journalArticle

Open Access
File
Biomass
Pyrolysis
Kinetics
Oils
Temperature
19 Citations (Scopus)
156 Downloads (Pure)

Molecular dynamics simulations for the prediction of the dielectric spectra of alcohols, glycols, and monoethanolamine

Cardona, J., Fartaria, R., Sweatman, M. B. & Lue, L., 23 Mar 2016, In : Molecular Simulation. 42, 5, p. 370-390 21 p.

Research output: Contribution to journalArticle

Open Access
File
monoethanolamine (MEA)
Ethanolamine
Glycols
Alcohol
Molecular Dynamics Simulation
2 Citations (Scopus)
60 Downloads (Pure)

On the electrostatics of DNA in chromatin

Bohinc, K. & Lue, L., 3 Feb 2016, In : AIMS Biophysics. 3, 1, p. 75-87 13 p.

Research output: Contribution to journalArticle

Open Access
File
Static Electricity
Chromatin
Electrostatics
DNA
Spermidine
27 Downloads (Pure)

Release of alkali metals during biomass thermal conversion

Cao, W., Li, J., Lue, L. & Zhang, X., 29 Nov 2016, In : Archives of Industrial Biotechnology. 1, 1, p. 1-3 3 p.

Research output: Contribution to journalArticle

Open Access
File
Alkali Metals
Bioconversion
Alkali metals
Potassium
Biomass
1 Citation (Scopus)
72 Downloads (Pure)

The cluster vapor to cluster solid transition

Sweatman, M. B. & Lue, L., 7 May 2016, In : Journal of Chemical Physics. 144, 17, 4 p., 171102.

Research output: Contribution to journalLetter

Open Access
File
Vapors
vapors
Self assembly
Phase transitions
Fluids
13 Citations (Scopus)
52 Downloads (Pure)

The influence of excluded volume and excess ion polarizability on the capacitance of the electric double layer

Minton, G. & Lue, L., 2016, In : Molecular Physics. 114, 16-17, p. 2477-2491 15 p.

Research output: Contribution to journalArticle

Open Access
File
Electric Capacitance
Capacitance
capacitance
Ions
ions
5 Downloads (Pure)

Variational perturbation theory for electrolyte solutions

Lue, L., 18 Dec 2016, Variational Methods in Molecular Modeling. Wu, J. (ed.). Springer, p. 137-154 18 p. (Molecular Modeling and Simulation).

Research output: Chapter in Book/Report/Conference proceedingChapter

Open Access
File
Statistical mechanics
Electrolytes
2015
1 Citation (Scopus)
20 Downloads (Pure)
Open Access
File
rods
ions
interactions
44 Downloads (Pure)

Application of the functional renormalization group method to classical free energy models

Lue, L., Sep 2015, In : AIChE Journal. 61, 9, p. 2985-2992

Research output: Contribution to journalArticle

Open Access
File
Functional groups
Free energy
Fluids
Thermodynamics
Vapors
5 Citations (Scopus)
120 Downloads (Pure)

Crystal templating through liquid–liquid phase separation

Mosses, J., Turton, D. A., Lue, L., Sefcik, J. & Wynne, K., 21 Jan 2015, In : Chemical Communications. 51, 6, p. 1139-1142 4 p.

Research output: Contribution to journalArticle

Open Access
File
Crystallization
Crystal growth
Phase separation
Spinodal decomposition
Crystals
13 Citations (Scopus)
121 Downloads (Pure)

Depletion forces due to image charges near dielectric discontinuities

Curtis, R. A. & Lue, L., Feb 2015, In : Current Opinion in Colloid and Interface Science . 20, 1, p. 19-23 5 p.

Research output: Contribution to journalLiterature review

Open Access
File
discontinuity
depletion
Salts
Electrolytes
exclusion
13 Downloads (Pure)

Effect of external electric fields on thermodynamic properties

Cardona, J. & Lue, L., 14 Sep 2015. 1 p.

Research output: Contribution to conferenceAbstract

Open Access
File
Microwave heating
Thermodynamic properties
Electric fields
Heating
Dielectric heating
3 Citations (Scopus)
102 Downloads (Pure)

Ions confined in spherical dielectric cavities modeled by a splitting field-theory

Lue, L. & Linse, P., 2015, In : Journal of Chemical Physics . 142, 14, 13 p., 144902.

Research output: Contribution to journalArticle

Open Access
File
Ions
cavities
Charge density
ions
Surface charge
38 Downloads (Pure)

Non-equilibrium molecular dynamics of jamming in thermostatted shear flows

Williams, C., Haw, M. (ed.) & Lue, L. (ed.), 14 Dec 2015.

Research output: Contribution to conferencePoster

Open Access
File
Jamming
Shear flow
Molecular dynamics
Thermostats
Suspensions
3 Citations (Scopus)

The interaction between like-charged nanoparticles mediated by rod-like ions

Bohinc, K. & Lue, L., May 2015, In : Journal of Nanoscience and Nanotechnology. 15, 5, p. 3468-3475 8 p.

Research output: Contribution to journalArticle

rods
Ions
Nanoparticles
nanoparticles
ions
39 Downloads (Pure)

The role of thermostats in simulations of jamming

Williams, C., Haw, M. (ed.), Lue, L. (ed.), Forsyth, C. & Peixoto, V., 13 Jul 2015. 1 p.

Research output: Contribution to conferencePoster

Open Access
File
Thermostats
Jamming
Suspensions
Molecular physics
Temperature
2014
1 Citation (Scopus)

A field theory approach for modeling electrostatic interactions in soft matter

Duncan, P. M., Hatlo, M. M. & Lue, L., 30 Apr 2014, Electrostatics of Soft and Disordered Matter. Dean, D. S., Dobnikar, J., Naji, A. & Podgornik, R. (eds.). p. 11-24 14 p.

Research output: Chapter in Book/Report/Conference proceedingChapter

Biological systems
Coulomb interactions
34 Citations (Scopus)

Cluster formation in fluids with competing short-range and long-range interactions

Sweatman, M. B., Fartaria, R. & Lue, L., 28 Mar 2014, In : Journal of Chemical Physics . 140, 12, 16 p., 124508.

Research output: Contribution to journalArticle

Crystals
Fluids
fluids
Nucleation
Micelles
16 Citations (Scopus)
Formaldehyde
Nuclear magnetic resonance spectroscopy
Glycols
Oligomers
Equilibrium constants
7 Citations (Scopus)
86 Downloads (Pure)

Green's function for a spherical dielectric discontinuity and its application to simulation

Linse, P. & Lue, L., Jan 2014, In : Journal of Chemical Physics. 140, 4, 12 p., 044903.

Research output: Contribution to journalArticle

Open Access
File
Green's function
discontinuity
Green's functions
Charge distribution
Surface charge