Article
Polymer Science
Jeffrey G. Ethier, Rohan K. Casukhela, Joshua J. Latimer, Matthew D. Jacobsen, Boris Rasin, Maneesh K. Gupta, Luke A. Baldwin, Richard A. Vaia
Summary: The study utilizes machine learning to predict phase diagrams of polymers in solution, developing a generalizable feature vector and assessing the impact of various descriptors on polymer-solvent interactions. The predictions are accurate for cloud points in the test set, offering potential to reduce data requirements for additional polymer-solvent pairs.
Article
Chemistry, Physical
Jan Pavlicek, Jan Rotrekl, Grozdana Bogdanic, Ivan Wichterle, Pavel Izak
Summary: This study investigated phase equilibria in a water + poly(propylene glycol) system, determining vapor-liquid and liquid-liquid equilibria at different temperatures. The data were correlated with the UNIQUAC model and segmental interaction models for polymer solutions. New segmental interaction parameters were estimated for interactions between propylene glycol and water segments.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Multidisciplinary Sciences
Khaled Benkouider, Toufik Bouden, Aceng Sambas, Badis Lekouaghet, Mohamad Afendee Mohamed, Sulaiman Ibrahim Mohammed, Mustafa Mamat, Mohd Asrul Hery Ibrahim, Muhammad Zaini Ahmad
Summary: This work introduces a new high dimensional 10-D hyperchaotic system with high complexity and multiple coexisting attractors. Different dynamical behaviors can be generated by adjusting parameters and initial points. The system exhibits multistability and multiple attractors. A synchronization method is proposed for synchronizing different systems. The feasibility of the system is verified by constructing an electronic circuit.
Article
Chemistry, Physical
Brendan P. Feeley, Michael A. Overton, Matthew M. Galloway, Thibaut J. Lecrivain, Aaron D. Wilson
Summary: The Idaho Database of Solution Thermodynamics (IDST) was created by collecting literature vapor liquid equilibrium (VLE) data for binary solutions, including practical osmotic coefficients and solute molal activity coefficients. The database includes over 400 aqueous datasets and 100 non-aqueous datasets from various references, available in visually, tabularly, and machine-readable formats for research on concentration dependent solution properties.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Thermodynamics
Chunli Tang, Xiaoli Qian, Ben Tan, Zhuoxi Yuan, Yingkai Huang
Summary: This paper experimentally investigated the regeneration performance of LiCl solution in desiccant dehumidification. By analyzing the mass transfer characteristics, the regeneration rate, regeneration potential, and concentration driving force were analyzed, taking into consideration variables such as desiccant temperature, flowrate, and concentration. The experimental results showed that an increase in solution temperature led to an increase in regeneration rate and potential, while an increase in solution concentration caused a decrease in regeneration rate and potential.
CASE STUDIES IN THERMAL ENGINEERING
(2022)
Article
Materials Science, Multidisciplinary
Emily F. Barker, Sudesna Banerjee, Tara Y. Meyer, Sachin Velankar
Summary: This study investigates the crystallization kinetics of polyoxacyclobutane (POCB) and water to form a cocrystal hydrate, revealing that decreasing temperature and water content can affect the crystallization rates.
ACS APPLIED POLYMER MATERIALS
(2022)
Article
Environmental Sciences
Eleonora Grilli, Roberto Battisti, Fabio Remondino
Summary: The study introduces an advanced photogrammetric pipeline for inspecting apple trees in the field, automatically detecting fruits from videos and quantifying their size and number. By utilizing smartphone-based videos and combining photogrammetry, deep learning, and geometric algorithms, the proposed approach aims to simplify fieldwork for farmers and agronomists while providing more accurate measurements and estimating harvesting dates. Experiment results demonstrate the accuracy and potential of the method, with data, images, code, and network weights available on the 3DOM-FBK GitHub account.
Article
Agronomy
Yihu Hu, Xinying Luo, Zicheng Gao, Ao Du, Hao Guo, Alexey Ruchay, Francesco Marinello, Andrea Pezzuolo
Summary: This paper proposes a novel curve skeleton extraction method for livestock point clouds. By constructing 2D top view and side views, the skeletons are extracted using discrete skeleton evolution algorithm, and then divided into torso and leg branches. Extensive experiments show that this method can extract high-quality curve skeletons from various livestock species.
Article
Computer Science, Software Engineering
Ulderico Fugacci, Chiara Romanengo, Bianca Falcidieno, Silvia Biasotti
Summary: This paper proposes a method for suitably resampling a 3D point cloud while preserving the feature curves to which some points belong. The method enriches the cloud by approximating curvilinear profiles and allows for point removal or insertion without affecting the approximated profiles. The effectiveness of the method is evaluated through experiments and comparisons.
COMPUTER-AIDED DESIGN
(2024)
Article
Environmental Sciences
Lidu Zhao, Xiaping Ma, Zhongfu Xiang, Shuangcheng Zhang, Chuan Hu, Yin Zhou, Guicheng Chen
Summary: The extraction of landslide deformation using terrestrial laser scanning has many important applications. This study proposes a method to extract landslide deformations from TLS data by eliminating edge drift and using weighted least squares regularization solution. Experimental results show that the proposed method outperforms existing methods in landslide deformation extraction.
Article
Polymer Science
Jian Tang, Takuya Katashima, Caidric Indaya Gupit, Xiang Li, Yoshiro Mitsukami, Yuki Yokoyama, Naoyuki Sakumichi, Ung -il Chung, Mitsuhiro Shibayama, Takamasa Sakai
Summary: The swelling behavior of polyelectrolyte gels is influenced by the ambient conditions, including the ionic pressure of the Gibbs-Donnan equilibrium and the conden-sation effect of counterions. This study investigated the swelling properties of polyelectrolyte gels in a divalent CaCl2 salt solution using model polyelectrolyte gels. The results showed that the swelling ratio increased with increasing pH, but the gel showed non-swellability independent of pH with increasing Ca2+ ion concentration.
Article
Biochemistry & Molecular Biology
Suwen Wei, Yanwei Wang, Guangcan Yang
Summary: In this study, a regression and classification neural network was used to investigate the phase behavior of lysozyme and bovine serum albumin. The network accurately predicted the solubility and cloud point temperature of lysozyme in a sodium chloride solution, as well as the reentrant phase behavior of BSA in a YCl3 solution containing a surfactant DDAO. The results demonstrate that deep neural networks can be effectively applied in the qualitative and quantitative analysis of liquid-liquid phase separation.
Article
Thermodynamics
Paloma Carbonell-Hermida, Antonio Marcilla, Maria del Mar Olaya
Summary: During LLE data correlation, the behavior of models in completely miscible binary mixtures is often overlooked, leading to inconsistent results. Commercial tools like Aspen Plus may provide misleading correlations, while developing custom tools can ensure consistent parameters.
FLUID PHASE EQUILIBRIA
(2021)
Article
Chemistry, Physical
Akram Ali Nasser Mansoor Al-Haimi, Ke Wang, Xin Xu, Lianzheng Zhang, Dongmei Xu, Jun Gao, Yinglong Wang
Summary: The study utilized ionic liquid extractants to recover allyl alcohol, investigated various interactions through calculations and experiments, evaluated the performance of the extractants, and used the NRTL model to fit the data, enhancing the efficiency of allyl alcohol recovery.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Thermodynamics
Milad Ahmadi Khoshooei
Summary: Vapor pressure data and evaporation/sublimation rate of liquid samples are crucial parameters for designing new process units, requiring consideration of limitations and analysis precautions associated with traditional methods in order to obtain valuable data.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2022)
Article
Thermodynamics
Haolei Yang, Xiaoqiang Bian, Lianguo Wang
Summary: A new association model, CPA-MHV1, combining the SRK equation of state with the CPA equation based on Michelsen's improved Huron-Vidal mixing rule, is developed. The model is used to investigate the vapor-liquid equilibrium of binary mixtures involving CH4, CO2, and H2O, as well as ternary mixtures containing NaCl. The results show that considering the solvation between CO2 and H2O yields the best performance, while CH4 with a pseudo-association scheme has the highest comprehensive prediction performance.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Vikas K. Sinha, Atanu K. Metya, Chandan K. Das
Summary: In this study, the solid-liquid coexistence curve for water was developed using coarse-grained mW and machine-learned ML-BOP water models. The ML-BOP model exhibited lower densities, a broader density-temperature hysteresis loop, and higher free energy compared to the mW model. The pressure dependence fusion curve for both models aligned with previous literature. This analysis demonstrates that the free energy method accurately captures the solid-liquid transformation and the thermodynamic melting point of water.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Curtis Hays Whitson
Summary: This article tells the story of an extraordinary individual who made numerous and valued contributions, portrayed through a few images and short stories.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Joe Hajjar, Sabine Enders
Summary: A generalized theoretical framework is introduced for multicomponent reactive nonuniform systems, combining the modified and generalized Cahn-Hilliard equation with a chemical kinetics model. The framework allows for the modelling and investigation of the combined reaction and diffusion in reactive liquid-liquid systems. It is found that for reacting mixtures with much smaller reaction rates than diffusion rates, the mixture will remain in phase equilibrium upon reaction and the interfacial chemical reaction will not affect the overall system dynamics, which are only influenced by the kinetics of the bulk phases.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Keycianne da Cruz Silva, Leticia Daniela de Souza, Vinicius Azevedo Gomes, Leandro Rodrigues de Lemos
Summary: Phase diagrams of four aqueous two-phase systems were determined experimentally, and conclusions were drawn regarding the effect of temperature on system enthalpy change and the influence of macromolecules on phase separation.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Yuanqing Wu, Shuyu Sun
Summary: The sparse-grid guided PINN training method improves the accuracy of the PINN surrogate model by rearranging collocation points and reduces the training time complexity. Experimental results demonstrate its clear advantages in terms of convergence, stability, and accuracy.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Peter Englezos
Summary: This article discusses the research progress and challenges in the field of canonical clathrate or gas hydrate phase equilibria, as well as the application of computational methods and models. It also explores the potential of machine learning techniques in hydrate and thermodynamic calculations.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Ying-Chieh Hung, Shao-Wei Su, Jia-Wei Yan, Gui-Bing Hong
Summary: In this study, VLE data for five binary systems were measured and successfully correlated using models. The predictive models were used to predict the binary VLE phase diagram and explain the mechanism of separation efficiency. The strength of electrostatic interactions and temperature-dependent separation behavior were determined through the analysis of molecular surface charge distribution.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Matevz Turk, Tomaz Urbic
Summary: By molecular dynamics and Monte Carlo simulations, this study determined the regions and hierarchy of anomalies in a purely repulsive core-softened system. It was found that in two dimensional systems, a size of 100 particles is sufficient for obtaining accurate details.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Adnan Jaradat, Rakan Al-Salman, Abdalla Obeidat
Summary: The vapor-liquid equilibrium of six primary alcohols were studied using molecular dynamics simulations and compared with experimental results. The study found that neglecting the Lennard-Jones interaction significantly reduced the critical temperature values and determining the critical temperature using surface tension gave more accurate results. The TraPPE-UA potential field showed good accuracy in predicting the critical temperature.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Michele Valsecchi, Amparo Galindo, George Jackson
Summary: The thermodynamic properties of aqueous mixtures of polyethylene glycol (PEG) are described using the SAFT-gamma Mie group-contribution equation of state. The model successfully predicts the miscibility gaps in a temperature range and shows good agreement with experimental results.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Roman Tomaschitz
Summary: Analytic closed-form expressions for the liquid and vapor saturation densities defining the coexistence curve are obtained. The coexistence curves of nitrogen, ethene, and sulfur hexafluoride are derived using high-precision data, and the critical power-law scaling of the order parameter and coexistence-curve diameter is examined. The Log-Log slopes of various quantities are used to determine the ideal power-law scaling regime and illustrate the slope evolution in the subcritical regime.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Nivaar Brijmohan, Kuveneshan Moodley, Caleb Narasigadu
Summary: An artificial neural network-based QSPR model was developed to estimate binary interaction parameters for the temperature-dependant form of the NRTL model. This model serves as a supplement to overcome limitations of group contribution methods in solvent screening and has been proven to be effective in improving the robustness of the screening process.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Marco Campestrini, Paolo Stringari, Salem Hoceini
Summary: In this paper, the solubility of benzene in different phases of methane was predicted using the GERG-2008 equation of state and the Gibbs free energy equation. The obtained results were in good agreement with experimental data and emphasized the significance of accurately representing the density of the fluid phase for predicting the solubility of solids in fluids.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Nefeli Novak, Georgios M. Kontogeorgis, Marcelo Castier, Ioannis G. Economou
Summary: This paper discusses theoretical considerations on electrolyte thermodynamic models for single and mixed solvent solutions. The authors find that there is no consensus among researchers on many fundamental issues in this field. They point out the need to convert electrolyte terms to the framework of the physical model and emphasize the importance of the Born term for liquid-liquid equilibrium calculations.
FLUID PHASE EQUILIBRIA
(2024)