Search results for " equilibrium"

Towards controlling PCDD/F production in a multi-fuel fired BFB boiler using two sulfur addition strategies. Part II: Thermodynamic analysis

2014

Abstract A staged equilibrium process model was developed for a bubbling fluidized bed boiler firing SRF, bark and sludge. The model was used to study the influence of sulfur addition strategies (S-pellet additive and peat co-firing) on the behavior of copper, bromine, and alkalis. Aerosol samples collected from the backpass of the boiler were used to validate the chemistry predicted by the model. The model revealed that Cu existed as Cu 2 S (s3) in the reducing zone, and CuCl (g) (for all test cases) and CuO (s) (during peat co-firing) in the oxidation zones. CuBr 3(g) was also present after the introduction of tertiary air. However the model failed to predict the formation of CuSO 4 , an …

KLUM@GTAP: SPATIALLY EXPLICIT, BIOPHYSICAL LAND USE IN A COMPUTABLE GENERAL EQUILIBRIUM MODEL

2009

Pore scale modelling of calcite cement dissolution in a reservoir sandstone matrix

2019

E3S Web of Conferences 98, 05010 (1-5) (2019). doi:10.1051/e3sconf/20199805010

Modelling the transport of carbonic acid anions through anion-exchange membranes

2003

Electrodiffusion of carbonate and bicarbonate anions through anion-exchange membranes (AEM) is described on the basis of the Nernst � /Planck equations taking into account coupled hydrolysis reactions in the external diffusion boundary layers (DBLs) and internal pore solution. The model supposes local electroneutrality as well as chemical and thermodynamic equilibrium. The transport is considered in three layers being an anion exchange membrane and two adjoining diffusion layers. A mechanism of

Analysing Incentive Strategies to Promote Participation in Crowdsourcing Systems

2016

In this paper, we define two strategies for crowdsourcing systems to encourage users to participate at a cost that is close to the optimal cost for the system. In the scenario considered, the system has temporal constraints and potential participants have dynamic behaviors related to the expected rewards (i.e., users’ expected rewards in exchange of their contributions change over time). We propose and evaluate two types of strategies that promote participation of users through monetary rewards that can change as time passes in order to adapt them to the population dynamic behaviors.

Sequestration of organomettalic compounds by synthetic and naturally occuring polycarboxylate ligands. Binding of monomethylmercury(II) by polyacryli…

2007

The sequestering capacity of synthetic and naturally occurring polycarboxylate ligands towards mono- methylmercury(II) was evaluated by stability quantitative data on the interaction of CH3Hgþ with different molecular weight synthetic polyacrylates (2 and 20 kDa average M.wt) and alginate (70– 100 kDa) extracted from brown algae Macrocystis pyrifera. The influence of ionic medium was evaluated by measurements on the CH3Hgþ-polyacrylate systems in NaNO3 medium at different ionic strengths (0.10, 0.25, 0.50 and 0.75mol Lÿ1), and a Debye–Hu¨ ckel type equation was used for the dependence of complex formation constants on ionic strength. Measurements on the CH3Hgþ - alginate system were carried…

Dynamic Self-Consistent Field Approach for Studying Kinetic Processes in Multiblock Copolymer Melts

2020

The self-consistent field theory is a popular and highly successful theoretical framework for studying equilibrium (co)polymer systems at the mesoscopic level. Dynamic density functionals allow one to use this framework for studying dynamical processes in the diffusive, non-inertial regime. The central quantity in these approaches is the mobility function, which describes the effect of chain connectivity on the nonlocal response of monomers to thermodynamic driving fields. In a recent study [Mantha et al, Macromolecules 53, 3409 (2020)], we have developed a method to systematically construct mobility functions from reference fine-grained simulations. Here we focus on melts of linear chains …

Modeling of biomolecular machines in non-equilibrium steady states

2021

Numerical computations have become a pillar of all modern quantitative sciences. Any computation involves modeling--even if often this step is not made explicit--and any model has to neglect details while still being physically accurate. Equilibrium statistical mechanics guides both the development of models and numerical methods for dynamics obeying detailed balance. For systems driven away from thermal equilibrium such a universal theoretical framework is missing. For a restricted class of driven systems governed by Markov dynamics and local detailed balance, stochastic thermodynamics has evolved to fill this gap and to provide fundamental constraints and guiding principles. The next step…

Giant Mechanocaloric Effects in Fluorite-Structured Superionic Materials

2016

Mechanocaloric materials experience a change in temperature when a mechanical stress is applied on them adiabatically. Thus, far, only ferroelectrics and superelastic metallic alloys have been considered as potential mechanocaloric compounds to be exploited in solid-state cooling applications. Here we show that giant mechanocaloric effects occur in hitherto overlooked fast ion conductors (FIC), a class of multicomponent materials in which above a critical temperature, Ts, a constituent ionic species undergoes a sudden increase in mobility. Using first-principles and molecular dynamics simulations, we found that the superionic transition in fluorite-structured FIC, which is characterized by …

The yellow toxins produced by Cercospora Beticola. Part VIII : Chemical equilibrium between beticolins ; structures of minor compounds : beticolin 6 …

1994

Abstract a general chemical transformation of the “linear” beticolin skeleton (beticolin 2 and 4) into a “bent” beticolin skeleton (cebetin A and beticolin 3 respectively) is described. Beticolins 6 and 8, minor components of mycelial extract are also characterized as minor compounds resulting from these transformations.