Imperial College London

ProfessorGeoffreyMaitland

Faculty of EngineeringDepartment of Chemical Engineering

Professor of Energy Engineering
 
 
 
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Contact

 

+44 (0)20 7594 1830g.maitland Website

 
 
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Assistant

 

Mrs Sarah Payne +44 (0)20 7594 5567

 
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Location

 

401ACE ExtensionSouth Kensington Campus

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Summary

 

Publications

Publication Type
Year
to

225 results found

Chow YTF, Maitland GC, Trusler JPM, 2018, Interfacial tensions of (H2O + H-2) and (H2O + CO2 + H-2) systems at temperatures of (298-448) K and pressures up to 45 MPa, Fluid Phase Equilibria, Vol: 475, Pages: 37-44, ISSN: 0378-3812

We report new interfacial tension (IFT) measurements of the (H2O + CO2 + H2) and (H2O + H2) systems at pressures of (0.5 to 45) MPa, and temperatures of (298.15 to 448.15) K, measured by the pendant-drop method. The expanded uncertainties at 95% confidence are 0.05 K for temperature, 70 kPa for pressure, 0.017·γ for IFT in the both the binary (H2O + H2) system and the ternary (CO2 + H2 + H2O) system. Generally, the IFT was found to decrease with both increasing pressure and increasing temperature. However, for (H2O + H2) at the lowest two temperatures investigated, the isothermal IFT data were found to exhibit a maximum as a function of pressure at low pressures before declining with increasing pressure. An empirical correlation has been developed for the IFT of the (H2O + H2) system in the full range of conditions investigated, with an average absolute deviation of 0.16 mN m−1, and this is used to facilitate a comparison with literature values. Estimates of the IFT of the (H2O + CO2 + H2) ternary system, by an empirical combining rule based on the coexisting phase compositions and the interfacial tensions of the binary systems, were found to be unsuitable at low temperatures, with an average absolute deviation of 3.6 mN m−1 over all the conditions investigated.

JOURNAL ARTICLE

Chow YTF, Maitland GC, Stevar MSP, Trusler JPMet al., 2018, Correction to "Interfacial Tension of (Brines + CO2): (0.864 NaCl + 0.136 KCl) at Temperatures between (298 and 448) K, Pressures between (2 and 50) MPa, and Total Molalities of (1 to 5) mol.kg(-1)", Journal of Chemical and Engineering Data, Vol: 63, Pages: 2333-2334, ISSN: 0021-9568

Li et al.(1) reported interfacial tension measurements between carbon dioxide and the mixed brine (0.864 NaCl + 0.136 KCl) over wide ranges of temperature, pressure and total salt molality. We have determined that their data on the isotherm at 298.15 K for the salt molaity of 0.98 mol·kg–1 are erroneous; results at other temperatures and salt molalities reported in(1) are not affected by the error. We report herein new data, measured at T = 298.15 K and at pressures between (2 and 51) MPa, to replace the corresponding isotherm reported in Table 2 of the original reference.

JOURNAL ARTICLE

Bui M, Adjiman CS, Bardow A, Anthony EJ, Boston A, Brown S, Fennell PS, Fuss S, Galindo A, Hackett LA, Hallett JP, Herzog HJ, Jackson G, Kemper J, Krevor S, Maitland GC, Matuszewski M, Metcalfe IS, Petit C, Puxty G, Reimer J, Reiner DM, Rubin ES, Scott SA, Shah N, Smit B, Trusler JPM, Webley P, Wilcox J, Mac Dowell Net al., 2018, Carbon capture and storage (CCS): the way forward, Energy and Environmental Science, Vol: 11, Pages: 1062-1176, ISSN: 1754-5692

Carbon capture and storage (CCS) is broadly recognised as having the potential to play a key role in meeting climate change targets, delivering low carbon heat and power, decarbonising industry and, more recently, its ability to facilitate the net removal of CO2 from the atmosphere. However, despite this broad consensus and its technical maturity, CCS has not yet been deployed on a scale commensurate with the ambitions articulated a decade ago. Thus, in this paper we review the current state-of-the-art of CO2 capture, transport, utilisation and storage from a multi-scale perspective, moving from the global to molecular scales. In light of the COP21 commitments to limit warming to less than 2 °C, we extend the remit of this study to include the key negative emissions technologies (NETs) of bioenergy with CCS (BECCS), and direct air capture (DAC). Cognisant of the non-technical barriers to deploying CCS, we reflect on recent experience from the UK's CCS commercialisation programme and consider the commercial and political barriers to the large-scale deployment of CCS. In all areas, we focus on identifying and clearly articulating the key research challenges that could usefully be addressed in the coming decade.

JOURNAL ARTICLE

Li X, Peng C, Crawshaw JP, Maitland GC, Trusler JPMet al., 2017, The pH of CO<inf>2</inf>-saturated aqueous NaCl and NaHCO<inf>3</inf>solutions at temperatures between 308 K and 373 K at pressures up to 15 MPa, Fluid Phase Equilibria, Vol: 458, Pages: 253-263, ISSN: 0378-3812

The pH is a critical variable for carbon storage in saline aquifers because it affects the reaction rate and equilibrium state of the reservoir rocks, thus influencing the rates of mineral dissolution or precipitation and the integrity of caprocks. In this work, high-pressure pH and Ag/AgCl-reference electrodes were used to measure the pH of CO 2 -saturated aqueous solutions of NaCl and NaHCO 3 . The expanded uncertainty of the pH measurements is 0.20 at 95% probability. For CO 2 -saturated NaCl(aq), measurements were carried out at total pressures from (0.37 to 15.3) MPa and temperatures from (308 to 373) K with NaCl molalities of (1, 3 and 5) mol·kg −1 . For CO 2 -saturated NaHCO 3 (aq), the pH was measured at total pressures from (0.2 to 15.3) MPa and temperatures from (308 to 353) K with NaHCO 3 molalities of (0.01, 0.1 and 1) mol·kg −1 . The pH was found to decrease with increase in pressure and with decrease in temperature for both CO 2 -saturated NaCl and NaHCO 3 solutions. For CO 2 -saturated NaCl(aq), the pH was observed to decrease with increase of salt molality, while for CO 2 -saturated NaHCO 3 , the opposite behaviour was observed. The results have been compared with predictions obtained from the PHREEQC geochemical simulator (version 3.3.9) incorporating the Pitzer activity-coefficient model with parameters taken from the literature. For CO 2 -saturated NaCl(aq), agreement to within ±0.2 pH units was observed in most cases, although deviations of up to 0.3 were found at the highest molality. In the case of CO 2 -saturated NaHCO 3 (aq), the experimental data were found to deviate increasingly from the model with increasing salt molality and, at 1 mol·kg −1 , the model underestimated the pH by between 0.3 and 0.7 units.

JOURNAL ARTICLE

Fennell PS, yao JG, maitland GC, Zhang Zet al., 2017, Pressurized Calcium Looping in the Presence of Steam in a Spout-Fluidized-Bed Reactor with DFT Analysis, Fuel Processing Technology, Vol: 169, Pages: 24-41, ISSN: 0378-3820

Calcium looping is a high-temperature solid-looping process for CO2 capture, exploiting cyclical carbonation of CaO. Previous work investigating the effects of steam on the carbonation reaction has produced conflicting results, with the majority of work conducted using thermogravimetric analyzers (TGA). Here, pressurized carbonation kinetics in the presence of steam in a 3 kWe pressurized spout-fluidized bed reactor, gives a rigorous insight into the effects of steam. Pseudo-intrinsic kinetics were determined using an effectiveness factor model along with activation energies and kinetic expressions. The mechanism in which steam promotes CO2 adsorption on the surface of CaO was investigated using density functional theory (DFT). The molecular-scale changes on the CaO surface owing to the presence of steam compared to the base case of CO2 adsorption on a ‘clean’ (without steam) surface were simulated with the Cambridge Serial Total Energy Package (CASTEP) software. The results suggest that steam promotes CO2 adsorption via the formation of surface OH groups on the CaO surface.

JOURNAL ARTICLE

Yao JG, fennell PS, Maitland GC, zhang Z, sceats Met al., 2017, Two-Phase Fluidized Bed Model for Pressurized Carbonation Kinetics of Calcium Oxide, Energy and Fuels, Vol: 31, Pages: 11181-11193, ISSN: 0887-0624

A two-phase reactor model has been developed using a system of ordinary differential equations in MATLAB to model the carbonation reaction and therefore determine the kinetics of calcium oxide in a pressurised fluidised bed reactor as part of the calcium looping cycle. The model assumes that the particulate and bubble phases are modelled as a CSTR and a PFR respectively. The random pore model developed by Bhatia and Perlmutter1 is incorporated into the system of equations to predict the rate of carbonation for pressures up to 5 bara total, and CO2 partial pressures up to 150 kPa. The surface rate constant and product layer diffusivity in the random pore model expression were obtained by fitting the model to experimental data for a range of pressures, CO2 concentrations and temperatures by minimization of the resid-ual sum of squares. The surface rate constants were found to be between 3.05 and 12.9 x 10-10 m4 mol-1 s-1 for a temper-ature range of 550 to 750 °C. The product layer diffusivities were found to be between 0.06 and 23.6 x 10-13 m2 s-1 for the same temperature range. The surface rate constant and product layer diffusivity activation energy were calculated using the Arrhenius e

JOURNAL ARTICLE

Al Ghafri SZS, Maitland GC, Trusler JPM, 2017, Phase Behavior of the System (Carbon Dioxide + n -Heptane + Methylbenzene): A Comparison between Experimental Data and SAFT-γ-Mie Predictions, Journal of Chemical and Engineering Data, Vol: 62, Pages: 2826-2836, ISSN: 1520-5134

In this work, we explore the capabilities of the statistical associating fluid theory for potentials of the Mie form with parameter estimation based on a group-contribution approach, SAFT-γ-Mie, to model the phase behavior of the (carbon dioxide + n-heptane + methylbenzene) system. In SAFT-γ-Mie, complex molecules are represented by fused segments representing the functional groups from which the molecule may be assembled. All interactions between groups, both like and unlike, were determined from experimental data on pure substances and binary mixtures involving CO2. A high-pressure high-temperature variable-volume view cell was used to measure the vapor–liquid phase behavior of ternary mixtures containing carbon dioxide, n-heptane, and methylbenzene over the temperature range 298–423 K at pressures up to 16 MPa. In these experiments, the mole ratio between n-heptane and methylbenzene in the ternary system was fixed at a series of specified values, and the bubble-curve and part of the dew-curve was measured under carbon dioxide addition along four isotherms.

JOURNAL ARTICLE

Mac Dowell N, Fennell PS, Shah N, Maitland GCet al., 2017, The role of CO2 capture and utilization in mitigating climate change, Nature Climate Change, Vol: 7, Pages: 243-249, ISSN: 1758-678X

To offset the cost associated with CO2 capture and storage (CCS), there is growing interest in finding commercially viable end-use opportunities for the captured CO2. In this Perspective, we discuss the potential contribution of carbon capture and utilization (CCU). Owing to the scale and rate of CO2 production compared to that of utilization allowing long-term sequestration, it is highly improbable the chemical conversion of CO2 will account for more than 1% of the mitigation challenge, and even a scaled-up enhanced oil recovery (EOR)-CCS industry will likely only account for 4–8%. Therefore, whilst CO2-EOR may be an important economic incentive for some early CCS projects, CCU may prove to be a costly distraction, financially and politically, from the real task of mitigation.

JOURNAL ARTICLE

Rufai A, Crawshaw J, Maitland G, 2016, Capillary disconnect during evaporation in porous media: Visualization of transition from stage-1 to stage-2 evaporation regime, 2016 AIChE Annual Meeting, Pages: 219-219

CONFERENCE PAPER

Cadogan SP, Mistry B, Wong Y, Maitland GC, Trusler JPMet al., 2016, Diffusion coefficients of carbon dioxide in eight hydrocarbon liquids at temperatures between (298.15 and 423.15) K at pressures up to 69 MPa, Journal of Chemical and Engineering Data, Vol: 61, Pages: 3922-3932, ISSN: 1520-5134

We report experimental measurements of the mutual diffusion coefficients in binary systems comprising CO2 + liquid hydrocarbon measured at temperatures between (298.15 and 423.15) K and at pressures up to 69 MPa. The hydrocarbons studied were the six normal alkanes hexane, heptane, octane, decane, dodecane and hexadecane, one branched alkane, 2,6,10,15,19,23-hexamethyltetracosane (squalane), and methylbenzene (toluene). The measurements were performed by the Taylor dispersion method at effectively infinite dilution of CO2 in the alkane, and the results have a typical standard relative uncertainty of 2.6%. Pressure was found to have a major impact, reducing the diffusion coefficient at a given temperature by up to 55% over the range of pressures investigated. A correlation based on the Stokes–Einstein model was investigated in which the effective hydrodynamic radius of CO2 was approximated by a linear function of the reduced molar volume of the solvent. This represented the data for the normal alkanes only with an average absolute relative deviation (AAD) of 5%. A new universal correlation, based on the rough-hard-sphere theory, was also developed which was able to correlate all the experimental data as a function of reduced molar volume with an AAD of 2.5%.

JOURNAL ARTICLE

Lee JM, Rochelle G, Styring P, Fennell P, Wilson G, Trusler M, Clough P, Blamey J, Dunstan M, MacDowell N, Lyth S, Yao J, Hills T, Gazzani M, Brandl P, Anantharaman R, Brandani S, Stolaroff J, Mazzotti M, Maitland G, Müller C, Dowson G, Gibbins J, Ocone R, Sedransk Campbell K, Erans M, Zheng L, Sutter D, Armutlulu A, Smit Bet al., 2016, CCS - A technology for now: general discussion., Faraday Discuss, Vol: 192, Pages: 125-151, ISSN: 1359-6640

JOURNAL ARTICLE

Smit B, Graham R, Styring P, Yao J, Clough P, Lee J-SM, MacDowell N, Lyth S, Rochelle G, Hills T, Wilson G, Petit C, Kemper J, Cuellar-Franca R, Dowson G, Gazzani M, Fennell P, Sutter D, Scholes C, Azapagic A, Bell R, Gibbins J, Mazzotti M, Maitland G, Brandani S, Ocone R, Mota-Martinez M, Dunstan M, Liang P, Anantharaman R, Joss L, Stolaroff Jet al., 2016, CCS - A technology for the future: general discussion, Faraday Discussions, Vol: 192, Pages: 303-335, ISSN: 1359-6640

JOURNAL ARTICLE

Maitland GC, 2016, Carbon Capture and Storage: concluding remarks., Faraday Discussions, Vol: 192, Pages: 581-599, ISSN: 1364-5498

This paper aims to pull together the main points, messages and underlying themes to emerge from the Discussion. It sets these remarks in the context of where Carbon Capture and Storage (CCS) fits into the spectrum of carbon mitigation solutions required to meet the challenging greenhouse gas (GHG) emissions reduction targets set by the COP21 climate change conference. The Discussion focused almost entirely on carbon capture (21 out of 23 papers) and covered all the main technology contenders for this except biological processes. It included (chemical) scientists and engineers in equal measure and the Discussion was enriched by the broad content and perspectives this brought. The major underlying theme to emerge was the essential need for closer integration of materials and process design - the use of isolated materials performance criteria in the absence of holistic process modelling for design and optimisation can be misleading. Indeed, combining process and materials simulation for reverse materials molecular engineering to achieve the required process performance and cost constraints is now within reach and is beginning to make a significant impact on optimising CCS and CCU (CO2 utilisation) processes in particular, as it is on materials science and engineering generally. Examples from the Discussion papers are used to illustrate this potential. The take-home messages from a range of other underpinning research themes key to CCUS are also summarised: new capture materials, materials characterisation and screening, process innovation, membranes, industrial processes, net negative emissions processes, the effect of GHG impurities, data requirements, environment sustainability and resource management, and policy. Some key points to emerge concerning carbon transport, utilisation and storage are also included, together with some overarching conclusions on how to develop more energy- and cost-effective CCS processes through improved integration of approach across the

JOURNAL ARTICLE

Smit B, Styring P, Wilson G, Rochelle G, Donat F, Yao J, Trusler M, Adjiman C, Lyth S, Lee J-SM, Hills T, Brandl P, Gazzani M, Cuellar-Franca R, Fennell P, Sutter D, Bui M, Scholes C, Dowson G, Gibbins J, Joss L, Maitland G, Brandani S, Garcia-Gutierrez P, Zhang Y, Muller C, Jackson G, Ocone R, Joos L, Bell R, Graham Ret al., 2016, Modelling - from molecules to megascale: general discussion, Faraday Discussions, Vol: 192, Pages: 493-509, ISSN: 1359-6640

JOURNAL ARTICLE

Maitland G, 2016, Importance of CCS, Chemistry & Industry, Vol: 80, Pages: 32-32, ISSN: 0009-3068

JOURNAL ARTICLE

Peng C, Anabaraonye BU, Crawshaw JP, Maitland GC, Trusler JPet al., 2016, Kinetics of carbonate mineral dissolution in CO2-acidified brines at storage reservoir conditions., Faraday Discussions, Vol: 192, Pages: 545-560, ISSN: 1364-5498

We report experimental measurements of the dissolution rate of several carbonate minerals in CO2-saturated water or brine at temperatures between 323 K and 373 K and at pressures up to 15 MPa. The dissolution kinetics of pure calcite were studied in CO2-saturated NaCl brines with molalities of up to 5 mol kg(-1). The results of these experiments were found to depend only weakly on the brine molality and to conform reasonably well with a kinetic model involving two parallel first-order reactions: one involving reactions with protons and the other involving reaction with carbonic acid. The dissolution rates of dolomite and magnesite were studied in both aqueous HCl solution and in CO2-saturated water. For these minerals, the dissolution rates could be explained by a simpler kinetic model involving only direct reaction between protons and the mineral surface. Finally, the rates of dissolution of two carbonate-reservoir analogue minerals (Ketton limestone and North-Sea chalk) in CO2-saturated water were found to follow the same kinetics as found for pure calcite. Vertical scanning interferometry was used to study the surface morphology of unreacted and reacted samples. The results of the present study may find application in reactive-flow simulations of CO2-injection into carbonate-mineral saline aquifers.

JOURNAL ARTICLE

Schmidt KAG, Pagnutti D, Curran MD, Singh A, Trusler JPM, Maitland GC, McBride-Wright Met al., 2016, Correction to "New experimental data and reference models for the viscosity and density of squalane", Journal of Chemical and Engineering Data, Vol: 61, Pages: 698-698, ISSN: 1520-5134

Empirical models for the density and the viscosity of squalane (C30H62; 2,6,10,15,19,23-hexamethyltetracosane) have been developed based on an exhaustive review of the data available in the literature and new experimental density and viscosity measurements carried out as a part of this work. The literature review shows there is a substantial lack of density and viscosity data at high temperature (373 to 473) K and high pressure conditions (pressures up to 200 MPa). These gaps were addressed with new experimental measurements carried out at temperatures of (338 to 473) K and at pressures of (1 to 202.1) MPa. The new data were utilized in the model development to improve the density and viscosity calculation of squalane at all conditions including high temperatures and high pressures. The model presented in this work reproduces the best squalane density and viscosity data available based on a new combined outlier and regression algorithm. The combination of the empirical models and the regression approach resulted in models which could reproduce the experimental density data with average absolute percent deviation of 0.04 %, bias of 0.000 %, standard deviation of 0.05 %, and maximum absolute percent deviation of 0.14 % and reproduce the experimental viscosity data with average absolute percent deviation of 1.4 %, bias of 0.02 %, standard deviation of 1.8 %, and maximum absolute percent deviation of 4.9 % over a wide range of temperatures and pressures. On the basis of the data set used in the model regression (without outliers), the density model is limited to the pressure and temperature ranges of (0.1 to 202.1) MPa and (273 to 525) K, whereas the viscosity model is limited to the pressure and temperature ranges of (0.1 to 467.0) MPa and (273 to 473) K. These models can be used to calibrate laboratory densitometers and viscometers at relevant high-temperature, high-pressure conditions.

JOURNAL ARTICLE

Al Ghafri SZS, Forte E, Galindo A, Maitland GC, Trusler JPMet al., 2015, Experimental and Modeling Study of the Phase Behavior of (Heptane plus Carbon Dioxide plus Water) Mixtures, Journal of Chemical and Engineering Data, Vol: 60, Pages: 3670-3681, ISSN: 1520-5134

We report experimental measurements ofthree-phase equilibria in the system (heptane + carbon dioxide+ water) obtained with a quasi-static analytical apparatus withcompositional analysis by means of gas chromatography. Theapparatus was calibrated by an absolute area method and thewhole measurement system was validated by means ofcomparison with the published literature data of the system(heptane + carbon dioxide). The compositions of the threephases coexisting in equilibrium were measured along fiveisotherms at temperatures from (323.15 to 413.15) K withpressures ranging from approximately 2 MPa to the uppercritical end point pressure at which the two nonaqueousphases became critical. The experimental results have been compared with the predictions of the statistical associating fluidtheory for potentials of variable range. The unlike binary interaction parameters used here are consistent with a previous study fora ternary mixture of a different n-alkane, while the alkane−water binary interaction parameter is found to be transferable and thealkane−carbon dioxide binary interaction parameter is predicted using a modified Hudson-McCoubrey combining rule.Generally, good agreement between experiment and theory was found

JOURNAL ARTICLE

Chow YTF, Maitland GC, Trusler JPM, 2015, Interfacial tensions of the (CO2 + N-2 + H2O) system at temperatures of (298 to 448) K and pressures up to 40 MPa, Journal of Chemical Thermodynamics, Vol: 93, Pages: 392-403, ISSN: 1096-3626

Interfacial tension measurements of the (CO2 + N2 + H2O) and (N2 + H2O) systems are reported at pressures of (2 to 40) MPa, and temperatures of (298.15 to 448.15) K. The pendant drop method was used in which it is necessary to know the density difference between the two phases. To permit calculation of this difference, the compositions of the coexisting phases were first computed from a combination of the Peng–Robinson equation of state (applied to the non-aqueous phase) and the NRTL model (applied to the aqueous phase). Densities of the non-aqueous phase were computed from the GERG-2008 equation of state, while those of the aqueous phase were calculated knowing the partial molar volumes of the solutes. The expanded uncertainties at 95% confidence are 0.05 K for temperature, 0.07 MPa for pressure, 0.019γ for interfacial tension in the binary (N2 + H2O) system; and 0.032γ for interfacial tension in the ternary (CO2 + N2 + H2O) system. The interfacial tensions in both systems were found to decrease with both increasing pressure and increasing temperature. An empirical correlation has been developed for the interfacial tension of the (N2 + H2O) system in the full range of conditions investigated, with an average absolute deviation of 0.20 mN · m−1, and this is used to facilitate a comparison with literature values. Estimates of the interfacial tension for the (CO2 + N2 + H2O) ternary system, by means of empirical combining rules based on the coexisting phase compositions and the interfacial tensions of the binary sub-systems, (N2 + H2O) and (CO2 + H2O), were found to be somewhat inadequate at low temperatures, with an average absolute deviation of 1.9 mN · m−1 for all the conditions investigated. To enable this analysis, selected literature data for the interfacial tensions of the (CO2 + H2O) binary system have been re-analysed, allowing for improved estimates of the density difference between the two phases. The revised resu

JOURNAL ARTICLE

Chow YTF, Eriksen DK, Galindo A, Haslam AJ, Jackson G, Maitland GC, Trusler JPMet al., 2015, Interfacial tensions of systems comprising water, carbon dioxide and diluent gases at high pressures: Experimental measurements and modelling with SAFT-VR Mie and square-gradient theory, Fluid Phase Equilibria, Vol: 407, Pages: 159-176, ISSN: 0378-3812

Experimental interfacial tensions of the systems (H<inf>2</inf>O+CO<inf>2</inf>), (H<inf>2</inf>O+N<inf>2</inf>), (H<inf>2</inf>O+Ar), (H<inf>2</inf>O+CO<inf>2</inf> +N<inf>2</inf>) and (H<inf>2</inf>O+CO<inf>2</inf> +Ar) are compared with calculations based on the statistical associating fluid theory for variable range potentials of the Mie form (SAFT-VR Mie) in combination with the square-gradient theory (SGT). Comparisons are made at temperatures from (298 to 473)K and at pressures up to 60MPa. Experimental data for the systems (H<inf>2</inf>O+CO<inf>2</inf>), (H<inf>2</inf>O+N<inf>2</inf>) and (H<inf>2</inf>O+CO<inf>2</inf> +N<inf>2</inf>) are taken from the literature. For the (H<inf>2</inf>O+Ar) and (H<inf>2</inf>O+CO<inf>2</inf> +Ar) systems, we report new experimental interfacial-tension data at temperatures of (298.15-473.15)K and pressures from (2 to 50)MPa, measured by the pendant-drop method. The expanded uncertainties at 95% confidence are 0.05K for temperature, 70kPa for pressure, 0.016× γ for interfacial tension in the binary (Ar+H<inf>2</inf>O) system and 0.018× γ for interfacial tension in the ternary (CO<inf>2</inf> +Ar+H<inf>2</inf>O) system.The parameters in the SAFT-VR Mie equation of state are estimated entirely from phase-equilibrium data for the pure components and binary mixtures. For pure water, the SGT influence parameter is determined from vapour-liquid surface-tension data, as is common practice. Since the other components are supercritical over most or the entire temperature range under consideration, their pure-component influence parameters are regressed by comparison with the binary interfacial-tension data. A geometric-mean combining rule

JOURNAL ARTICLE

del Rio-Chanona EA, Dechatiwongse P, Zhang D, Maitland GC, Hellgardt K, Arellano-Garcia H, Vassiliadis VSet al., 2015, Optimal Operation Strategy for Biohydrogen Production, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, Vol: 54, Pages: 6334-6343, ISSN: 0888-5885

JOURNAL ARTICLE

Zhang D, Dechatiwongse P, del Rio-Chanona EA, Maitland GC, Hellgardt K, Vassiliadis VSet al., 2015, Dynamic modelling of high biomass density cultivation and biohydrogen production in different scales of flat plate photobioreactors, Biotechnology and Bioengineering, Vol: 112, Pages: 2429-2438, ISSN: 1097-0290

This paper investigates the scaling-up of cyanobacterial biomass cultivation and biohydrogen production from laboratory to industrial scale. Two main aspects are investigated and presented, which to the best of our knowledge have never been addressed, namely the construction of an accurate dynamic model to simulate cyanobacterial photo-heterotrophic growth and biohydrogen production and the prediction of the maximum biomass and hydrogen production in different scales of photobioreactors. To achieve the current goals, experimental data obtained from a laboratory experimental setup are fitted by a dynamic model. Based on the current model, two key original findings are made in this work. First, it is found that selecting low-chlorophyll mutants is an efficient way to increase both biomass concentration and hydrogen production particularly in a large scale photobioreactor. Second, the current work proposes that the width of industrial scale photobioreactors should not exceed 0.20 m for biomass cultivation and 0.05 m for biohydrogen production, as severe light attenuation can be induced in the reactor beyond this threshold.

JOURNAL ARTICLE

Zhang D, Dechatiwongse P, Del-Rio-Chanona EA, Hellgardt K, Maitland GC, Vassiliadis VSet al., 2015, Analysis of the cyanobacterial hydrogen photoproduction process via model identification and process simulation, CHEMICAL ENGINEERING SCIENCE, Vol: 128, Pages: 130-146, ISSN: 0009-2509

JOURNAL ARTICLE

Dechatiwongse P, Maitland C G, Hellgardt K, Demonstration of a two-stage aerobic/anaerobic chemostat for the enhanced production of hydrogen and biomass from unicellular nitrogen-fixing cyanobacterium, Algal Research-Biomass Biofuels and Bioproducts, ISSN: 2211-9264

JOURNAL ARTICLE

Zhang D, Dechatiwongse P, del Rio-Chanona EA, Maitland GC, Hellgardt K, Vassiliadis VSet al., 2015, Modelling of light and temperature influences on cyanobacterial growth and biohydrogen production, Algal Research, Vol: 9, Pages: 263-274, ISSN: 2211-9264

Dynamic simulation is a valuable tool to assist the scale-up and transition of biofuel production from laboratory scale to potential industrial implementation. In the present study two dynamic models are constructed, based on the Aiba equation, the improved Lambert–Beer's law and the Arrhenius equation. The aims are to simulate the effects of incident light intensity, light attenuation and temperature upon the photo-autotrophic growth and the hydrogen production of the nitrogen-fixing cyanobacterium Cyanothece sp. ATCC 51142. The results are based on experimental data derived from an experimental setup using two different geometries of laboratory scale photobioreactors: tubular and flat-plate. All of the model parameters are determined by an advanced parameter estimation methodology and subsequently verified by sensitivity analysis. The optimal temperature and light intensity facilitating biohydrogen production in the absence of light attenuation have been determined computationally to be 34 °C and 247 μmol m− 2 s− 1, respectively, whereas for cyanobacterial biomass production they are 37 °C and 261 μmol m− 2 s− 1, respectively. Biomass concentration higher than 0.8 g L− 1 is also demonstrated to significantly enhance the light attenuation effect, which in turn inducing photolimitation phenomena. At a higher biomass concentration (3.5 g L− 1), cyanobacteria are unable to activate photosynthesis to maintain their lives in a photo-autotrophic growth culture, and biohydrogen production is significantly inhibited due to the severe light attenuation.

JOURNAL ARTICLE

Peng C, Crawshaw JP, Maitland GC, Trusler JPMet al., 2015, Kinetics of calcite dissolution in CO2-saturated water at temperatures between (323 and 373) K and pressures up to 13.8 MPa, Chemical Geology, Vol: 403, Pages: 74-85, ISSN: 1872-6836

We report measurements of the calcite dissolution rate in CO2-saturated water at pressures ranging from (6.0 to 13.8) MPa and temperatures from (323 to 373) K. The rate of calcite dissolution in HCl(aq) at temperatures from (298 to 353) K was also measured at ambient pressure with pH between 2.0 and 3.3. A specially-designed batch reactor system, implementing a rotating disc technique, was used to obtain the dissolution rate at the solid/liquid interface of a single crystal, free of mass transfer effects. We used vertical scanning interferometry to examine the texture of the calcite surface produced by the experiment and the results suggested that at far-from-equilibrium conditions, the measured calcite dissolution rate was independent of the initial defect density due to the development of a dynamic dissolution pattern which became steady-state shortly after the onset of dissolution. The results of this study indicate that the calcite dissolution rate under surface-reaction-controlled conditions increases with the increase of temperature from (323 to 373) K and CO2 partial pressure from (6.0 to 13.8) MPa. Fitting the conventional first order transition state kinetic model to the observed rate suggested that, although sufficient to describe calcite dissolution in CO2-free HCl(aq), this model clearly underestimate the calcite dissolution rate in the (CO2 + H2O) system over the range of conditions studied. A kinetic model incorporating both pH and the activity of CO2(aq) has been developed to represent the dissolution rates found in this study. We report correlations for the corresponding reaction rate coefficients based on the Arrhenius equation and compare the apparent activation energies with values from the literature. The results of this study should facilitate more rigorous modelling of mineral dissolution in deep saline aquifers used for CO2 storage.

JOURNAL ARTICLE

Cadogan S, Maitland GC, Mistry B, Trusler JPM, Wong Tet al., 2015, Diffusion coefficients of carbon dioxide in liquid hydrocarbons at high pressures: Experiment and modeling, Pages: 69-75

CONFERENCE PAPER

Remiezowicz E, Spooren J, Bay E, Cowan A, Ingram I, Abrantes P, da Ponte MN, North M, Albo J, Styring P, Priestnall M, Lamb K, Aresta M, Quadrelli EA, Heyn R, Bardow A, Webb W, Silva R, Alonso-Moreno C, Janaky C, Maitland G, Vaidyanathan S, Carrera GVSM, Reed D, Vanbroekhoven K, Yavuz CT, Pant D, Hollingsworth Net al., 2015, Capture agents, conversion mechanisms, biotransformations and biomimetics: general discussion, FARADAY DISCUSSIONS, Vol: 183, Pages: 463-487, ISSN: 1359-6640

JOURNAL ARTICLE

Maitland G, 2015, Refining in the reservoir, TCE The Chemical Engineer, Pages: 32-35, ISSN: 0302-0797

JOURNAL ARTICLE

Cadogan SP, Hallett JP, Maidand GC, Trusler JPMet al., 2015, Diffusion Coefficients of Carbon Dioxide in Brines Measured Using C-13 Pulsed-Field Gradient Nuclear Magnetic Resonance, JOURNAL OF CHEMICAL AND ENGINEERING DATA, Vol: 60, Pages: 181-184, ISSN: 0021-9568

JOURNAL ARTICLE

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