Development of hybrid machine learning model for simulation of chemical reactors in water treatment applications: Absorption in amino acid

Separation and capture of CO2 from gas mixtures is of great importance from environmental point of view which can be effectively achieved using amino acids as new class of chemical absorbents. However, screening the proper absorbent with desired separation properties using experimental measurements is tedious and costly. The predictive computational techniques can be employed to overcome this problem. In this study, for estimating and analyzing CO2 solubility in chemical solvents based on amino acid salt solutions, we created two regression models from different classes of machine learning methods. The main aim is to analyze the effect of physico-chemical parameters on the CO2 dissolution in solvent which can be carried out in chemical reactors for separation/conversion of CO2 for environmental applications. A number of CO2 solubility data are collected from resources and used for training and validation of machine learning computations. Several inputs were considered for the developed machine learning models. Inputs in this regression task are T (temperature), weight% (overall mass percentage of solvent), PCO2 (partial pressure of CO2 in the gas), MW-am (molecular weight of amino acid salt), MPC (melting point of amino acid salt), MWC (molecular mass of cation). In this task, we must predict alpha (CO2 loading in the amino acid solution) as the only output of the developed models. The models studied in this research are the Gaussian process and the decision tree boosted with Gradient boosting. With the R 2 criterion, the scores of the two Gradient boosting and Gaussian process models were obtained 0.985 and 0.993, respectively. As the third efficiency metric of the models, the Gradient boosting and regression of the Gaussian process with the RMSE criterion is the error rates of 1.10E−01 and 1.44E−01. The models developed in this work indicated to be reliable and robust enough for screening the solvents for a particular application and to save time and cost of experimental measurements

Reducing the environmental impact of surgery on a global scale: systematic review and co-prioritization with healthcare workers in 132 countries

Abstract Background Healthcare cannot achieve net-zero carbon without addressing operating theatres. The aim of this study was to prioritize feasible interventions to reduce the environmental impact of operating theatres. Methods This study adopted a four-phase Delphi consensus co-prioritization methodology. In phase 1, a systematic review of published interventions and global consultation of perioperative healthcare professionals were used to longlist interventions. In phase 2, iterative thematic analysis consolidated comparable interventions into a shortlist. In phase 3, the shortlist was co-prioritized based on patient and clinician views on acceptability, feasibility, and safety. In phase 4, ranked lists of interventions were presented by their relevance to high-income countries and low–middle-income countries. Results In phase 1, 43 interventions were identified, which had low uptake in practice according to 3042 professionals globally. In phase 2, a shortlist of 15 intervention domains was generated. In phase 3, interventions were deemed acceptable for more than 90 per cent of patients except for reducing general anaesthesia (84 per cent) and re-sterilization of ‘single-use’ consumables (86 per cent). In phase 4, the top three shortlisted interventions for high-income countries were: introducing recycling; reducing use of anaesthetic gases; and appropriate clinical waste processing. In phase 4, the top three shortlisted interventions for low–middle-income countries were: introducing reusable surgical devices; reducing use of consumables; and reducing the use of general anaesthesia. Conclusion This is a step toward environmentally sustainable operating environments with actionable interventions applicable to both high– and low–middle–income countries

Atom-field system: Effects of squeezing and intensity dependent coupling on the quantum coherence and nonclassical properties

Recently, Kumar Gerry et al. [Phys. Rev. A 90, 033427 (2014) https://doi.org/10.1103/PhysRevA.90.03342

Coherence Trapping in Open Two-Qubit Dynamics

In this manuscript, we examine the dynamical behavior of the coherence in open quantum systems using the l1 norm. We consider a two-qubit system that evolves in the framework of Kossakowski-type quantum dynamical semigroups (KTQDSs) of completely positive maps (CPMs). We find that the quantum coherence can be asymptotically maintained with respect to the values of the system parameters. Moreover, we show that the quantum coherence can resist the effect of the environment and preserve even in the regime of long times. The obtained results also show that the initially separable states can provide a finite value of the coherence during the time evolution. Because of such properties, several states in this type of environments are good candidates for incorporating quantum information and optics (QIO) schemes. Finally, we compare the dynamical behavior of the coherence with the entire quantum correlation

Entanglement and Fisher Information for Atoms–Field System in the Presence of Negative Binomial States

We developed a quantum scheme of two atoms (TAs) and field initially in a negative binomial state (NBS). We displayed and discussed the physical implications of the obtained results in terms of the physical parameters of the model. By considering that the TAs were initially prepared in a maximally entangled state, and that the single-mode field was in the NBS, the dynamics of quantum phenomena such TAs–field entanglement, TAs entanglement, and parameter estimation were examined. We found that the quantum quantifiers exhibited randomly quasi-periodic and periodic oscillations that depended on the success probability, photon number transition, and the intensity-dependent coupling effect. Furthermore, we analyzed the connection between the dynamical behavior of the quantifiers. This system can be compared with some other ones that are being discussed in the literature, in order to realize the quantum entanglement, and to control the precision of the parameter estimation

Parity Deformed Tavis-Cummings Model: Entanglement, Parameter Estimation and Statistical Properties

In this paper, we introduce the parity extension of the harmonic oscillator systems to develop the generalized Tavis-Cummings model (T-CM) based on a specific deformation of the Heisenberg algebra. We present a quantum scheme of a two-qubit system (TQS) interacting with a quantized field that is initially prepared in parity deformed coherent states (PDCSs). The dynamical features of the considered system are explored in the presence of parity deformed parameter (PDP) and time-dependent coupling (t-dc). In particular, we examine the amount of the entanglement formed in the qubit–field and qubit–qubit states. We find that the maximal amount of the entanglement may be occurred periodically during the time evolution. Finally, we investigate the influence of PDP on the Fisher information and the photon statistics of the deformed field with respect to the main parameters of the system

Three-level atom–field in the context of time-dependent coupling and power-lower potentials

In the framework of time-varying coupling and power-law potentials, we investigate quantum entanglement and quantum Fisher information in a system that consists of a three-level atom interacting with a quantized field. The results illustrate that the quantum entanglement and quantum Fisher information's temporal evolution depend critically on the physical properties of the field and its coupling to the atom. It is noteworthy to notice that the quantifiers are sensitive to the exponent parameter of the potential with and without time-varying coupling. Considerable nonlocal correlation with the accuracy of parameter estimation can be achieved through the proper control of physical parameters

Quantum Coherence of Atoms with Dipole–Dipole Interaction and Collective Damping in the Presence of an Optical Field

We investigate the effect of the interatomic distances and thermal reservoir on the coherence dynamics of the atoms considering the dipole–dipole interaction (DDI) and collective damping effect (CDE). We show that the control and protection of the coherence are very sensitive to the interatomic distances and reservoir temperature. Furthermore, we explore the distance effect between atoms and reservoir temperature on the time evolution of the total quantum correlation between the two atoms. The obtained results could be useful to execute these quantum phenomena and also considered as a good indication to implement realistic experiments with optimal conditions

Quantum Coherence of Atoms with Dipole–Dipole Interaction and Collective Damping in the Presence of an Optical Field

We investigate the effect of the interatomic distances and thermal reservoir on the coherence dynamics of the atoms considering the dipole–dipole interaction (DDI) and collective damping effect (CDE). We show that the control and protection of the coherence are very sensitive to the interatomic distances and reservoir temperature. Furthermore, we explore the distance effect between atoms and reservoir temperature on the time evolution of the total quantum correlation between the two atoms. The obtained results could be useful to execute these quantum phenomena and also considered as a good indication to implement realistic experiments with optimal conditions