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Michael Locht Michelsen

Bio: Michael Locht Michelsen is an academic researcher from Technical University of Denmark. The author has contributed to research in topics: Equation of state & Vapor pressure. The author has an hindex of 52, co-authored 162 publications receiving 11405 citations.


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TL;DR: In this article, a number of numerical methods for stability analysis based on Gibbs' tangent plane criterion are described, which are applicable for both single phase and multiphase systems, mainly for Equation of State calculations using a single model for all fluid phases.

991 citations

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TL;DR: In this paper, an algorithm for calculation of multiphase equilibrium at given temperature and pressure using a single Equation of State as the thermodynamic model is described, and the use of stability analysis to generate initial estimates and of second order convergence methods lead to rapid solution even in the immediate vicinity of critical points.

657 citations

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TL;DR: In this paper, a new explicit mixing rule for a cubic equation of state has been developed, which enables direct incorporation of parameters from existing g E correlations, such as the Wilson equation, the NRTL equation or the UNIFAC equation.

421 citations

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TL;DR: The Cubic-Plus-Association (CPA) model as discussed by the authors is an equation of state that is based on a combination of the Soave−Redlich−Kwong (SRK) equation with the association term of the Wertheim theory.
Abstract: CPA (Cubic-Plus-Association) is an equation of state that is based on a combination of the Soave−Redlich−Kwong (SRK) equation with the association term of the Wertheim theory. The development of CPA started in 1995 as a research project funded by Shell (Amsterdam), and the model was first published in 1996. Since then, it has been successfully applied to a variety of complex phase equilibria, including mixtures containing alcohols, glycols, organic acids, water, and hydrocarbons. Focus has been placed on cases of industrial importance, e.g., systems with gas-hydrate inhibitors (methanol, glycols), glycol regeneration and gas dehydration units, oxygenate additives in gasoline, alcohol separation, etc. This manuscript, which is the first of a series of two papers, offers a review of previous applications and illustrates current focus areas related to the estimation of pure compound parameters, alcohol−hydrocarbon vapor−liquid equilibria (VLE) and solid−liquid equilibria (SLE), as well as aqueous systems. Th...

368 citations


Cited by
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Journal ArticleDOI
TL;DR: Four different techniques incorporating X-ray diffraction and solid-state 13C nuclear magnetic resonance (NMR) were compared using eight different cellulose preparations and it was found that the simplest method, which is also the most widely used, and which involves measurement of just two heights in the X- Ray diffractogram, produced significantly higher crystallinity values than did the other methods.
Abstract: Although measurements of crystallinity index (CI) have a long history, it has been found that CI varies significantly depending on the choice of measurement method. In this study, four different techniques incorporating X-ray diffraction and solid-state 13C nuclear magnetic resonance (NMR) were compared using eight different cellulose preparations. We found that the simplest method, which is also the most widely used, and which involves measurement of just two heights in the X-ray diffractogram, produced significantly higher crystallinity values than did the other methods. Data in the literature for the cellulose preparation used (Avicel PH-101) support this observation. We believe that the alternative X-ray diffraction (XRD) and NMR methods presented here, which consider the contributions from amorphous and crystalline cellulose to the entire XRD and NMR spectra, provide a more accurate measure of the crystallinity of cellulose. Although celluloses having a high amorphous content are usually more easily digested by enzymes, it is unclear, based on studies published in the literature, whether CI actually provides a clear indication of the digestibility of a cellulose sample. Cellulose accessibility should be affected by crystallinity, but is also likely to be affected by several other parameters, such as lignin/hemicellulose contents and distribution, porosity, and particle size. Given the methodological dependency of cellulose CI values and the complex nature of cellulase interactions with amorphous and crystalline celluloses, we caution against trying to correlate relatively small changes in CI with changes in cellulose digestibility. In addition, the prediction of cellulase performance based on low levels of cellulose conversion may not include sufficient digestion of the crystalline component to be meaningful.

2,522 citations

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TL;DR: In this article, the authors 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.
Abstract: 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.

2,088 citations

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TL;DR: In this article, the authors review the leading CO2 capture technologies, available in the short and long term, and their technological maturity, before discussing CO2 transport and storage, as well as the economic and legal aspects of CCS.
Abstract: In recent years, Carbon Capture and Storage (Sequestration) (CCS) has been proposed as a potential method to allow the continued use of fossil-fuelled power stations whilst preventing emissions of CO2 from reaching the atmosphere. Gas, coal (and biomass)-fired power stations can respond to changes in demand more readily than many other sources of electricity production, hence the importance of retaining them as an option in the energy mix. Here, we review the leading CO2 capture technologies, available in the short and long term, and their technological maturity, before discussing CO2 transport and storage. Current pilot plants and demonstrations are highlighted, as is the importance of optimising the CCS system as a whole. Other topics briefly discussed include the viability of both the capture of CO2 from the air and CO2 reutilisation as climate change mitigation strategies. Finally, we discuss the economic and legal aspects of CCS.

1,752 citations

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TL;DR: In this article, a variety of promising sorbents such as activated carbonaceous materials, microporous/mesoporous silica or zeolites, carbonates, and polymeric resins loaded with or without nitrogen functionality for the removal of CO2 from the flue gas streams have been reviewed.
Abstract: Post-combustion CO2 capture from the flue gas is one of the key technology options to reduce greenhouse gases, because this can be potentially retrofitted to the existing fleet of coal-fired power stations. Adsorption processes using solid sorbents capable of capturing CO2 from flue gas streams have shown many potential advantages, compared to other conventional CO2 capture using aqueous amine solvents. In view of this, in the past few years, several research groups have been involved in the development of new solid sorbents for CO2 capture from flue gas with superior performance and desired economics. A variety of promising sorbents such as activated carbonaceous materials, microporous/mesoporous silica or zeolites, carbonates, and polymeric resins loaded with or without nitrogen functionality for the removal of CO2 from the flue gas streams have been reviewed. Different methods of impregnating functional groups, including grafting techniques and modifying the support materials, have been discussed to en...

1,502 citations