Xiaodong Liang

Hangzhou Medical College

Author Statistics

Papers

Citation

H-Index

i-10 index

Research Trends

Author Order

Document Type

Co-Authors

Georgios M. Kontogeorgis

Technical University of Denmark

113

Nicolas von Solms

Technical University of Denmark

Yuqiu Chen

University of Delaware

Bjørn Maribo‐Mogensen

Technical University of Denmark

Spardha Jhamb

Technical University of Denmark

Rafiqul Gani

Hong Kong University of Science and Technology

Xiangping Zhang

Institute of Process Engineering

Suojiang Zhang

Institute of Process Engineering

Xinyan Liu

Wuhan University

Kim Dam‐Johansen

Technical University of Denmark

Cooperative Institutions

Technical University of Denmark

Chinese Academy of Sciences

Chemical Industry Press

University of Chinese Academy of Sciences

Shanghai Jiao Tong University

Huazhong University of Science and Technology

China Electronics Technology Group Corporation

Institute of Process Engineering

Xi'an Jiaotong University

Southeast University

Author Statistics

Papers

Citation

H-Index

i-10 index

Research Field

Structure optimization of tailored ionic liquids and process simulation for shale gas separation

AIChE Journal (2019)

Xinyan Liu Yuqiu Chen Shaojuan Zeng Xiangping Zhang Suojiang Zhang

Abstract Shale gas, as a potential substitute for energy source, requires important processing steps before utilization. The most common separation technology applied is distillation, which is energy‐intensive. With good stability, non‐volatility, and tailored properties, ionic liquids (ILs) are regarded as novel potential solvents and alternative media for gas absorption. Therefore, a new strategy for hybrid shale gas separation processing, where IL‐based absorption together with distillation is employed for energy‐efficient and cost‐economic gas processing, is developed. In this work, a three‐stage methodology for shale gas separation process is proposed: IL screening, where a systematic screening method with two options (database screening and computer‐aided design based on universal quasichemical functional‐group activity coefficient model) is established; suitable ILs are selected as promising candidates; process design and simulation, where separation schemes and important design issues in the IL‐based processes are determined; and, process evaluation, where the performance of the final separation process is evaluated and verified.

Separation process

Process design

Shale Gas

Process Simulation

Separation (statistics)

10.1002/aic.16794

Cite

Citations (50)

Comparison of Models for the Prediction of the Electrical Conductivity of Electrolyte Solutions

Industrial & Engineering Chemistry Research (2022)

Saman Naseri Boroujeni Xiaodong Liang Bjørn Maribo‐Mogensen Georgios M. Kontogeorgis

It has been almost one century since Onsager developed the limiting law of equivalent conductivity of electrolyte solutions. Thenceforth, many models have been developed; however, they have not been assessed thoroughly and systematically. This paper comprehensively investigates the accuracy and reliability of six equivalent conductivity models, namely, the Debye–Hückel–Onsager limiting law (DHOLL), extended law (DHOEE), smaller ion shell (DHOSiS), along with the simplified and full mean spherical approximation (MSA, MSA-Simple), and Quint–Viallard (QV). To this aim, we have prepared a database of experimental data for 126 electrolytes. The accuracy of the models is examined with the help of graphical methods and error analysis over a wide range of concentrations ([0, 18] mol/L) and temperatures ([0, 100] °C). Moreover, the origin of possible errors of models is inspected with a term-by-term analysis of relaxation and electrophoretic effects. It is shown that the absolute average deviation of models depends highly on the electrolyte type, and it is generally smaller for 1:1 salts, especially at low concentrations (less than 5%). The error evolution with concentration also reveals that MSA-Simple and DHOEE are more reliable over a wide range of concentration and electrolyte types. It is concluded that MSA-Simple predicts the equivalent conductivity at lower temperatures and the trend of Λ versus T more satisfactorily than the other models.

Limiting

Strong electrolyte

10.1021/acs.iecr.1c04365

Cite

Citations (20)

Microscopic Insights into the Effect of the Initial Gas–Liquid Interface on Hydrate Formation by In-Situ Raman in the System of Coalbed Methane and Tetrahydrofuran

ACS Omega (2021)

Jing Cai Tao Lv Xiao‐Sen Li Chun‐Gang Xu Nicolas von Solms

The serious issues of energy shortage and greenhouse gas emission have led to the development of coalbed methane (CBM) with new commercial ramifications. A hydrate-based gas separation technology is introduced to recover methane from CBM. However, the mechanism of hydrate nucleation needs to be clear for enhancing the hydrate formation rate and gas recovery efficiency. In this work, we studied, by means of in-situ Raman spectroscopy, the microscopic characterizations of hydrates forming in/around the initial gas-liquid interface in the case of CBM and tetrahydrofuran (THF). It is found that the hydrates accumulate as a film with horizontal crevices in the initial gas-liquid interface. These crevices prevent the hydrate film from hindering gas-liquid contact and limiting hydrate formation. Raman spectroscopy results illustrate that the initial gas-liquid interface shows a positive impact on water aggregation, and that the holding gas molecules stay stably with the water molecules. Nitrogen molecules encage into the cavities of THF hydrates along with methane molecules. For the interface and hydrate layer, water aggregation is evaluated by the Raman intensity ratio of hydrogen-bonded water (BW) and free water (FW) without any hydrogen bonds, abbreviated as IBW/IFW. A value of IBW/IFW higher than 0.85 can symbolize the occurrence of hydrate nucleation in the interface and help assess the hydrate formation.

Clathrate hydrate

Tetrahydrofuran

10.1021/acsomega.1c04907

Cite

Citations (4)

Natural gas sweetening using tailored ionic liquid-methanol mixed solvent with selective removal of H2S and CO2

Chemical Engineering Journal (2023)

Yang Lei Lei Du Xinyan Liu Haoshui Yu Xiaodong Liang

Natural gas is often preferred in various energy applications due to its many advantages over conventional fossil fuels such as oil and coal. However, the removal of pollutants from natural gas, particularly hydrogen sulfide (H2S) and carbon dioxide (CO2), requires complex treatment strategies, significantly impacting the cost of natural gas production. In this work, we propose a mixed solvent combining ionic liquid (IL) and methanol, which can selectively and simultaneously remove H2S and CO2 by customizing the IL structure and its ratio in the solvent. This purification process offers improved efficiency and energy savings compared to traditional methods. To determine the optimal IL structure in the mixed solvent, a computer-aided design method was employed. Through solving the formulated MINLP problem, the IL 1-methyl pyridinium trifluoroacetate ([C1OHPy][TFA]) was identified as having the highest affinity for H2S, making it suitable for use in the IL-methanol mixed solvent. Furthermore, the upgrading process of high-sulfur natural gas using the IL-methanol mixed solvent was simulated and evaluated, comparing it to the benchmark natural gas upgrading (Rectisol) process. The results demonstrate that the IL-methanol mixed solvent natural gas upgrading process achieved a 55.57 % power savings and reduced the annual total cost (TAC) by 23.90 % compared to the Rectisol process. These findings highlight the significant potential of our tailored IL-methanol mixed solvent in natural gas production.

10.1016/j.cej.2023.146424

Cite

Citations (20)

Structure Optimization of Task-Specific Ionic Liquids Targeting Low-Carbon-Emission Ethylbenzene Production

SSRN Electronic Journal (2022)

Yang Lei Zhaoyang Yu Zhiqiang Wei Xinyan Liu Haoshui Yu

The production of ethylbenzene from dry gas is a representative of an energy-intensive process in oil refineries, and the distillation process accounts for the major energy consumption and carbon emissions. Due to the increasing energy and environmental challenges, there is a strong demand for new technologies or intensified process designs that enable us to have energy-efficient and sustainable process operations. In this work, an ionic liquid (IL)-based energy-efficient extractive distillation (ED) process with low carbon emission is proposed for the distillation process of ethylbenzene production from dry gas. First, the structure of task-specific ILs is optimized through the computer-aided IL design (CAILD) method with a novel design objective. An ammonium-based IL ethylammonium trifluoromethanesulfonate ([C2H8N][TfO]), that has the best objective performance, is identified by solving a mixed-integer nonlinear programming (MINLP) problem. The energy, environmental (carbon emission), and economic performance of this [C2H8N][TfO]-based ED process in the ethylbenzene production is then thoroughly evaluated on the basis of optimized process operations in Aspen Plus. For demonstration purposes, a case study for the separation process of an industrial-scale ethylbenzene production in a Chinese refining industry is performed. When compared to the conventional process that is currently used in the petrochemical industry, our proposed [C2H8N][TfO]-based ED separation process has 41% energy (hot utility) savings and a 56% cost reduction. Notably, the IL-based ED separation process has 40% lower carbon emissions versus the conventional process, indicating its great potential for sustainable operation in the production of ethylbenzene from dry gas.

Carbon fibers

10.2139/ssrn.4249834

Cite

Citations (1)

A Lung Cancer Patient Harboring a Rare Oncogenic EGFR Exon 20 V786M Mutation Responded to a Third-Generation Tyrosine Kinase Inhibitor: Case Report and Review of the Literature

Frontiers in Oncology (2022)

Qi Zhu Mingyun Jiang Wenfei Li Shuangli Sun Jisheng Li

Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors (TKIs) are effective treatments for non-small cell lung cancer (NSCLC) patients with activating EGFR mutations. There are many uncommon and rare mutations in the EGFR gene. The efficacy of the EGFR-TKIs is largely unknown for cancers harboring uncommon or rare EGFR mutations.A 69-year-old woman was diagnosed with adenocarcinoma cT4N2M1c, stage IVB. Next-generation sequencing (NGS) confirmed a rare EGFR V786M mutation. During chemotherapy, immune checkpoint inhibitor (ICI), and anti-angiogenic treatment, no radiological response was observed. Subsequent third-generation EGFR TKI showed a remarkable therapeutic effect. Structural prediction revealed that the V786M mutation induces conformational change at the dimer interface, without altering the ATP binding to the EGFR tyrosine kinase domain (TKD). Consistently, docking simulations indicated that the affinity of ATP to the V786M mutant was not disturbed, which explained the TKI sensitivity.Our data confirmed the activating role on EGFR V786M mutation. Together with structural predictions and clinical evidence for activity of TKIs against EGFR V786M mutations, these findings warrant further investigation.

EGFR Inhibitors

Protein kinase domain

10.3389/fonc.2022.912426

Cite

Citations (3)

Gas Adsorption and Interfacial Tension with Classical Density Functional Theory

Industrial & Engineering Chemistry Research (2019)

Edgar L. Camacho Vergara Georgios M. Kontogeorgis Xiaodong Liang

A classical density functional theory (DFT) that reduces to the perturbed chain statistical associating fluid theory equation of state has been implemented. This DFT implementation allows the use of molecular and binary interaction parameters fitted to the vapor–liquid equilibria of pure compounds and binary mixtures, respectively. Different functionals of dispersion forces are investigated and applied to the calculation of interfacial tension and adsorption of pure gases and their mixtures. The predictions of interfacial tension have been compared with both molecular simulations and experimental data, and good agreements have been seen. The DFT approaches also show good performance in correlating and predicting gas adsorption, and they are further compared with the multicomponent potential theory of adsorption and other DFT approaches available in the literature.

London dispersion force

10.1021/acs.iecr.9b00137

Cite

Citations (34)

Computerbaseret design af organiske coatings

Dansk Kemi (2020)

Spardha Jhamb Xiaodong Liang Kim Dam‐Johansen Georgios M. Kontogeorgis

Source

Cite

Citations (0)

Using Reaktoro for mineral and gas solubility calculations with the Extended UNIQUAC model

Allan M. M. Leal Tim J. Tambach Diego Volpatto Xiaodong Liang Philip Loldrup Fosbøl

The extended UNIQUAC model is a thermodynamic model able to estimate thermodynamic properties of aqueous electrolyte solutions under a wide range of temperature, pressure, and composition conditions. Thermodynamic properties include species activity coefficients, excess molar Gibbs energy, excess molar enthalpy, excess molar heat capacity. These properties are important for aqueous speciation calculations, mineral and gas solubility computations, chemical kinetic modeling of mineral dissolution and precipitation, and in reactive transport simulations considering chemically complex aqueous electrolyte solutions. In this paper we present a brief literature review on the extended UNIQUAC model, we report on its im-plementation in C++ in the Reaktoro framework for modeling chemically reactive systems, and we show its use from Python for computing mineral and gas solubilities in aqueous solutions at a wide range of temperature, pressure, and salinity conditions. We validated the calculations against experimental data and against results obtained through the software ScaleCERE implementing the extended UNIQUAC model. Our conclusion is that the extended UNIQUAC model has been successfully implemented into the Reaktoro framework, thereby providing a suitable activity model for geochemical and reactive transport modeling.

UNIQUAC

10.26434/chemrxiv-2024-b2hhb

Cite

Citations (1)

A new study of associating inhomogeneous fluids with classical density functional theory

Molecular Physics (2020)

Edgar L. Camacho Vergara Georgios M. Kontogeorgis Xiaodong Liang

A new density functional for the study of associating inhomogeneous fluids based on Wertheim's first-order thermodynamic perturbation theory is presented and compared to the most currently used associating density functionals. This functional is developed using the weighted density approximation in the range of association of hard spheres. We implement this functional within the framework of classical density functional theory together with modified fundamental measure theory to account for volume exclusion of hard spheres. This approach is tested against molecular simulations from literature of pure associating hard spheres and mixtures of non-associationg and associating hard spheres with different number of bonding sites close to a hard uniform wall. Furthermore, we compare and review our results with the performance of associating functionals from literature, one based on fundamental measure theory and the inhomogeneous version of Wertheim's perturbation theory. Results obtained with classical DFT and the three functionals show excellent agreement with molecular simulations in systems with one hard wall. For the cases of small pores where only one or two layers of fluid are allowed discrepancies between results with classical DFT and molecular simulations were found.

Classical fluids

10.1080/00268976.2020.1725668

Cite

Citations (14)